2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole

C24H21ClN6O3 — CID 142401614

About 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole

2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 142401614) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole
• PubChem CID: 142401614
• Molecular Formula: C24H21ClN6O3
• Molecular Weight: 476.92 g/mol
• Exact Mass: 476.14
• IUPAC Name: 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole
• SMILES: COCc1nnc2n1Cc1c(C3=NC(c4cccc(OC)c4)CO3)ncn1-c1ccc(Cl)cc1-2
• InChI: InChI=1S/C24H21ClN6O3/c1-32-12-21-28-29-23-17-9-15(25)6-7-19(17)31-13-26-22(20(31)10-30(21)23)24-27-18(11-34-24)14-4-3-5-16(8-14)33-2/h3-9,13,18H,10-12H2,1-2H3
• InChIKey: WKUTZKRUCAPDJQ-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 88.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.92
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole?

The IUPAC name of 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 142401614) is 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole?

The canonical SMILES for 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole is COCc1nnc2n1Cc1c(C3=NC(c4cccc(OC)c4)CO3)ncn1-c1ccc(Cl)cc1-2.

What is the InChIKey of 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole?

The InChIKey is WKUTZKRUCAPDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c1-32-12-21-28-29-23-17-9-15(25)6-7-19(17)31-13-26-22(20(31)10-30(21)23)24-27-18(11-34-24)14-4-3-5-16(8-14)33-2/h3-9,13,18H,10-12H2,1-2H3.

What are the key properties of 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole?

2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 476.92 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142401614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).