[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone

C145H149ClF3N19O21 — CID 157300546

About [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone

[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone (PubChem CID 157300546) has the molecular formula C145H149ClF3N19O21 and a molecular weight of 2586.35 g/mol. Its IUPAC name is [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone
• PubChem CID: 157300546
• Molecular Formula: C145H149ClF3N19O21
• Molecular Weight: 2586.35 g/mol
• Exact Mass: 2584.08
• IUPAC Name: [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone
• SMILES: C=C(N1CCN(C(=O)c2ccc(-c3nc4ccc(F)cc4o3)cc2)C[C@H]1C)C1(O)CC1.C[C@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)ncn4C)cc2F)CCN1C(=O)C1(C)CC1.C[C@H]1CN(C(=O)c2ccc(-c3nc4ccc(Cl)cc4o3)cc2)CCN1C(=O)C1(O)CC1.Cc1ccc2nc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)[C@@H](C)C4)c(F)c3)oc2c1.Cc1ccc2nc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)[C@@H](C)C4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(C(=O)N4C[C@@H](C)N(C(=O)C5(O)CC5)[C@@H](C)C4)cc3)oc2c1
• InChI: InChI=1S/C25H27FN4O2.C25H27N3O4.C24H24FN3O4.C24H24FN3O3.C24H25N3O4.C23H22ClN3O4/c1-16-14-29(10-11-30(16)24(32)25(2)8-9-25)23(31)19-6-4-17(12-20(19)26)18-5-7-22-21(13-18)27-15-28(22)3;1-15-4-9-20-21(12-15)32-22(26-20)18-5-7-19(8-6-18)23(29)27-13-16(2)28(17(3)14-27)24(30)25(31)10-11-25;1-14-3-6-19-20(11-14)32-21(26-19)16-4-5-17(18(25)12-16)22(29)27-9-10-28(15(2)13-27)23(30)24(31)7-8-24;1-15-14-27(11-12-28(15)16(2)24(30)9-10-24)23(29)18-5-3-17(4-6-18)22-26-20-8-7-19(25)13-21(20)31-22;1-15-3-8-19-20(13-15)31-21(25-19)17-4-6-18(7-5-17)22(28)26-11-12-27(16(2)14-26)23(29)24(30)9-10-24;1-14-13-26(10-11-27(14)22(29)23(30)8-9-23)21(28)16-4-2-15(3-5-16)20-25-18-7-6-17(24)12-19(18)31-20/h4-7,12-13,15-16H,8-11,14H2,1-3H3;4-9,12,16-17,31H,10-11,13-14H2,1-3H3;3-6,11-12,15,31H,7-10,13H2,1-2H3;3-8,13,15,30H,2,9-12,14H2,1H3;3-8,13,16,30H,9-12,14H2,1-2H3;2-7,12,14,30H,8-11,13H2,1H3/t16-;16-,17+;2*15-;16-;14-/m0.0100/s1
• InChIKey: BBVTUDBLDNFOPN-UJMDJTMUSA-N
• XLogP: 20.55
• TPSA: 475.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2586.35
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone?

The IUPAC name of [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone (CID 157300546) is [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone.

What is the SMILES notation for [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone?

The canonical SMILES for [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone is C=C(N1CCN(C(=O)c2ccc(-c3nc4ccc(F)cc4o3)cc2)C[C@H]1C)C1(O)CC1.C[C@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)ncn4C)cc2F)CCN1C(=O)C1(C)CC1.C[C@H]1CN(C(=O)c2ccc(-c3nc4ccc(Cl)cc4o3)cc2)CCN1C(=O)C1(O)CC1.Cc1ccc2nc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)[C@@H](C)C4)c(F)c3)oc2c1.Cc1ccc2nc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)[C@@H](C)C4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(C(=O)N4C[C@@H](C)N(C(=O)C5(O)CC5)[C@@H](C)C4)cc3)oc2c1.

What is the InChIKey of [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone?

The InChIKey is BBVTUDBLDNFOPN-UJMDJTMUSA-N. The full InChI is InChI=1S/C25H27FN4O2.C25H27N3O4.C24H24FN3O4.C24H24FN3O3.C24H25N3O4.C23H22ClN3O4/c1-16-14-29(10-11-30(16)24(32)25(2)8-9-25)23(31)19-6-4-17(12-20(19)26)18-5-7-22-21(13-18)27-15-28(22)3;1-15-4-9-20-21(12-15)32-22(26-20)18-5-7-19(8-6-18)23(29)27-13-16(2)28(17(3)14-27)24(30)25(31)10-11-25;1-14-3-6-19-20(11-14)32-21(26-19)16-4-5-17(18(25)12-16)22(29)27-9-10-28(15(2)13-27)23(30)24(31)7-8-24;1-15-14-27(11-12-28(15)16(2)24(30)9-10-24)23(29)18-5-3-17(4-6-18)22-26-20-8-7-19(25)13-21(20)31-22;1-15-3-8-19-20(13-15)31-21(25-19)17-4-6-18(7-5-17)22(28)26-11-12-27(16(2)14-26)23(29)24(30)9-10-24;1-14-13-26(10-11-27(14)22(29)23(30)8-9-23)21(28)16-4-2-15(3-5-16)20-25-18-7-6-17(24)12-19(18)31-20/h4-7,12-13,15-16H,8-11,14H2,1-3H3;4-9,12,16-17,31H,10-11,13-14H2,1-3H3;3-6,11-12,15,31H,7-10,13H2,1-2H3;3-8,13,15,30H,2,9-12,14H2,1H3;3-8,13,16,30H,9-12,14H2,1-2H3;2-7,12,14,30H,8-11,13H2,1H3/t16-;16-,17+;2*15-;16-;14-/m0.0100/s1.

What are the key properties of [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone?

[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone has a molecular weight of 2586.35 g/mol, XLogP of 20.55, 19 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone is sourced from PubChem (CID 157300546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).