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

C17H15N3O2 — CID 90388552

IUPAC4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc12
InChIInChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
InChIKeyNCPRCNJIGPDNGS-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.00
Rot. Bonds2

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

4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 90388552) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID90388552
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc12
InChIInChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
InChIKeyNCPRCNJIGPDNGS-UHFFFAOYSA-N
XLogP4.00
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 90388552) is 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc12.
What is the InChIKey of 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is NCPRCNJIGPDNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3.
What are the key properties of 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 293.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90388552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).