1,2-oxazole;9H-pyrido[3,4-b]indole

C14H11N3O — CID 67836649

IUPAC1,2-oxazole;9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1cnccc12.c1cnoc1
InChIInChI=1S/C11H8N2.C3H3NO/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-4-5-3-1/h1-7,13H;1-3H
InChIKeyDJEATGAGJQJMGU-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.39
Rot. Bonds

About 1,2-oxazole;9H-pyrido[3,4-b]indole

1,2-oxazole;9H-pyrido[3,4-b]indole (PubChem CID 67836649) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1,2-oxazole;9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1,2-oxazole;9H-pyrido[3,4-b]indole
PubChem CID67836649
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1,2-oxazole;9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1cnccc12.c1cnoc1
InChIInChI=1S/C11H8N2.C3H3NO/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-4-5-3-1/h1-7,13H;1-3H
InChIKeyDJEATGAGJQJMGU-UHFFFAOYSA-N
XLogP3.39
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;9H-pyrido[3,4-b]indole?
The IUPAC name of 1,2-oxazole;9H-pyrido[3,4-b]indole (CID 67836649) is 1,2-oxazole;9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1,2-oxazole;9H-pyrido[3,4-b]indole?
The canonical SMILES for 1,2-oxazole;9H-pyrido[3,4-b]indole is c1ccc2c(c1)[nH]c1cnccc12.c1cnoc1.
What is the InChIKey of 1,2-oxazole;9H-pyrido[3,4-b]indole?
The InChIKey is DJEATGAGJQJMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2.C3H3NO/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-4-5-3-1/h1-7,13H;1-3H.
What are the key properties of 1,2-oxazole;9H-pyrido[3,4-b]indole?
1,2-oxazole;9H-pyrido[3,4-b]indole has a molecular weight of 237.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;9H-pyrido[3,4-b]indole is sourced from PubChem (CID 67836649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).