3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol

C95H131ClN16O11 — CID 159900340

About 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol

3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol (PubChem CID 159900340) has the molecular formula C95H131ClN16O11 and a molecular weight of 1708.65 g/mol. Its IUPAC name is 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol.

Molecular Properties

• Compound Name: 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol
• PubChem CID: 159900340
• Molecular Formula: C95H131ClN16O11
• Molecular Weight: 1708.65 g/mol
• Exact Mass: 1706.99
• IUPAC Name: 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol
• SMILES: CC[C@H]1CN(Cc2ccccc2)CCN1c1cc(C)on1.CC[C@H]1CNCCN1c1cc(C)on1.CO.Cc1cc(N2CCN(Cc3ccccc3)C[C@@H]2CO)no1.Cc1cc(NCCN(Cc2ccccc2)C[C@H](O)CCl)no1.Cc1cc(NCCN(Cc2ccccc2)C[C@H]2CO2)no1.c1ccc(COC2CNCC(OCc3ccccc3)C2)cc1
• InChI: InChI=1S/C19H23NO2.C17H23N3O.C16H22ClN3O2.2C16H21N3O2.C10H17N3O.CH4O/c1-3-7-16(8-4-1)14-21-18-11-19(13-20-12-18)22-15-17-9-5-2-6-10-17;1-3-16-13-19(12-15-7-5-4-6-8-15)9-10-20(16)17-11-14(2)21-18-17;1-13-9-16(19-22-13)18-7-8-20(12-15(21)10-17)11-14-5-3-2-4-6-14;1-13-9-16(17-21-13)19-8-7-18(11-15(19)12-20)10-14-5-3-2-4-6-14;1-13-9-16(18-21-13)17-7-8-19(11-15-12-20-15)10-14-5-3-2-4-6-14;1-3-9-7-11-4-5-13(9)10-6-8(2)14-12-10;1-2/h1-10,18-20H,11-15H2;4-8,11,16H,3,9-10,12-13H2,1-2H3;2-6,9,15,21H,7-8,10-12H2,1H3,(H,18,19);2-6,9,15,20H,7-8,10-12H2,1H3;2-6,9,15H,7-8,10-12H2,1H3,(H,17,18);6,9,11H,3-5,7H2,1-2H3;2H,1H3/t;16-;3*15-;9-;/m.01100./s1
• InChIKey: NVWKAPQPKDHCEY-HTNRTYSGSA-N
• XLogP: 13.47
• TPSA: 292.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1708.65
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol?

The IUPAC name of 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol (CID 159900340) is 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol.

What is the SMILES notation for 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol?

The canonical SMILES for 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol is CC[C@H]1CN(Cc2ccccc2)CCN1c1cc(C)on1.CC[C@H]1CNCCN1c1cc(C)on1.CO.Cc1cc(N2CCN(Cc3ccccc3)C[C@@H]2CO)no1.Cc1cc(NCCN(Cc2ccccc2)C[C@H](O)CCl)no1.Cc1cc(NCCN(Cc2ccccc2)C[C@H]2CO2)no1.c1ccc(COC2CNCC(OCc3ccccc3)C2)cc1.

What is the InChIKey of 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol?

The InChIKey is NVWKAPQPKDHCEY-HTNRTYSGSA-N. The full InChI is InChI=1S/C19H23NO2.C17H23N3O.C16H22ClN3O2.2C16H21N3O2.C10H17N3O.CH4O/c1-3-7-16(8-4-1)14-21-18-11-19(13-20-12-18)22-15-17-9-5-2-6-10-17;1-3-16-13-19(12-15-7-5-4-6-8-15)9-10-20(16)17-11-14(2)21-18-17;1-13-9-16(19-22-13)18-7-8-20(12-15(21)10-17)11-14-5-3-2-4-6-14;1-13-9-16(17-21-13)19-8-7-18(11-15(19)12-20)10-14-5-3-2-4-6-14;1-13-9-16(18-21-13)17-7-8-19(11-15-12-20-15)10-14-5-3-2-4-6-14;1-3-9-7-11-4-5-13(9)10-6-8(2)14-12-10;1-2/h1-10,18-20H,11-15H2;4-8,11,16H,3,9-10,12-13H2,1-2H3;2-6,9,15,21H,7-8,10-12H2,1H3,(H,18,19);2-6,9,15,20H,7-8,10-12H2,1H3;2-6,9,15H,7-8,10-12H2,1H3,(H,17,18);6,9,11H,3-5,7H2,1-2H3;2H,1H3/t;16-;3*15-;9-;/m.01100./s1.

What are the key properties of 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol?

3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol has a molecular weight of 1708.65 g/mol, XLogP of 13.47, 33 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol is sourced from PubChem (CID 159900340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).