4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

C23H19N3O2 — CID 78322715

IUPAC4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3)c12
InChIInChI=1S/C23H19N3O2/c1-13-21(14(2)28-26-13)17-11-19-16(12-20(17)27-3)22-18(25-19)9-10-24-23(22)15-7-5-4-6-8-15/h4-12,25H,1-3H3
InChIKeyFNQLTUOQASERQX-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.66
Rot. Bonds3

About 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 78322715) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID78322715
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3)c12
InChIInChI=1S/C23H19N3O2/c1-13-21(14(2)28-26-13)17-11-19-16(12-20(17)27-3)22-18(25-19)9-10-24-23(22)15-7-5-4-6-8-15/h4-12,25H,1-3H3
InChIKeyFNQLTUOQASERQX-UHFFFAOYSA-N
XLogP5.66
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 78322715) is 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3)c12.
What is the InChIKey of 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is FNQLTUOQASERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-13-21(14(2)28-26-13)17-11-19-16(12-20(17)27-3)22-18(25-19)9-10-24-23(22)15-7-5-4-6-8-15/h4-12,25H,1-3H3.
What are the key properties of 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 369.42 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxy-1-phenyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 78322715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).