2-(9H-carbazol-3-yl)-1,3-benzoxazole

C19H12N2O — CID 23362620

IUPAC2-(9H-carbazol-3-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4[nH]c5ccccc5c4c3)nc2c1
InChIInChI=1S/C19H12N2O/c1-2-6-15-13(5-1)14-11-12(9-10-16(14)20-15)19-21-17-7-3-4-8-18(17)22-19/h1-11,20H
InChIKeyHVRRRCMSTDNDKV-UHFFFAOYSA-N
MW284.32 g/mol
LogP5.13
Rot. Bonds1

About 2-(9H-carbazol-3-yl)-1,3-benzoxazole

2-(9H-carbazol-3-yl)-1,3-benzoxazole (PubChem CID 23362620) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(9H-carbazol-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(9H-carbazol-3-yl)-1,3-benzoxazole
PubChem CID23362620
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name2-(9H-carbazol-3-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4[nH]c5ccccc5c4c3)nc2c1
InChIInChI=1S/C19H12N2O/c1-2-6-15-13(5-1)14-11-12(9-10-16(14)20-15)19-21-17-7-3-4-8-18(17)22-19/h1-11,20H
InChIKeyHVRRRCMSTDNDKV-UHFFFAOYSA-N
XLogP5.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.32
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(9H-carbazol-3-yl)-1,3-benzoxazole 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 2-(9H-carbazol-3-yl)-1,3-benzoxazole?
The IUPAC name of 2-(9H-carbazol-3-yl)-1,3-benzoxazole (CID 23362620) is 2-(9H-carbazol-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(9H-carbazol-3-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(9H-carbazol-3-yl)-1,3-benzoxazole is c1ccc2oc(-c3ccc4[nH]c5ccccc5c4c3)nc2c1.
What is the InChIKey of 2-(9H-carbazol-3-yl)-1,3-benzoxazole?
The InChIKey is HVRRRCMSTDNDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O/c1-2-6-15-13(5-1)14-11-12(9-10-16(14)20-15)19-21-17-7-3-4-8-18(17)22-19/h1-11,20H.
What are the key properties of 2-(9H-carbazol-3-yl)-1,3-benzoxazole?
2-(9H-carbazol-3-yl)-1,3-benzoxazole has a molecular weight of 284.32 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 23362620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).