4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C20H19N3O2 — CID 134807915

IUPAC4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccccc1-c1nc(-c2c(C)noc2C)cc2[nH]c(C)cc12
InChIInChI=1S/C20H19N3O2/c1-11-9-15-16(21-11)10-17(19-12(2)23-25-13(19)3)22-20(15)14-7-5-6-8-18(14)24-4/h5-10,21H,1-4H3
InChIKeyYCDIDRFCTABEAJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.82
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134807915) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134807915
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccccc1-c1nc(-c2c(C)noc2C)cc2[nH]c(C)cc12
InChIInChI=1S/C20H19N3O2/c1-11-9-15-16(21-11)10-17(19-12(2)23-25-13(19)3)22-20(15)14-7-5-6-8-18(14)24-4/h5-10,21H,1-4H3
InChIKeyYCDIDRFCTABEAJ-UHFFFAOYSA-N
XLogP4.82
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

Bis(1H-2-indolyl)methanone 11
CID 5330527
Bis(1H-2-indolyl)methanone 12
CID 5330528
Bis(1H-2-indolyl)methanone 14
CID 5330530
3-{3-[4-(1,2-Benzisoxazol-3-yl)piperidyl]propyl}-2-methylindole
CID 13078389
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78322398
4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole
CID 90387917
4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole
CID 90388046
4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethylisoxazole
CID 90388552
4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134806472
5-methoxy-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 13078393
1-Chloro-7-(3,5-diethyl-4-isoxazolyl)-8-methoxy-5H-pyrido(4,3-b)indole
CID 90388523
4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805123

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134807915) is 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1ccccc1-c1nc(-c2c(C)noc2C)cc2[nH]c(C)cc12.
What is the InChIKey of 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is YCDIDRFCTABEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-11-9-15-16(21-11)10-17(19-12(2)23-25-13(19)3)22-20(15)14-7-5-6-8-18(14)24-4/h5-10,21H,1-4H3.
What are the key properties of 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 333.39 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134807915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).