6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one

C16H12N2O3 — CID 110766380

IUPAC6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)oc2c1)N1CCc2ccccc21
InChIInChI=1S/C16H12N2O3/c19-15(18-8-7-10-3-1-2-4-13(10)18)11-5-6-12-14(9-11)21-16(20)17-12/h1-6,9H,7-8H2,(H,17,20)
InChIKeySPJDPBOITOKOBU-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.32
Rot. Bonds1

About 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one

6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one (PubChem CID 110766380) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one
PubChem CID110766380
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)oc2c1)N1CCc2ccccc21
InChIInChI=1S/C16H12N2O3/c19-15(18-8-7-10-3-1-2-4-13(10)18)11-5-6-12-14(9-11)21-16(20)17-12/h1-6,9H,7-8H2,(H,17,20)
InChIKeySPJDPBOITOKOBU-UHFFFAOYSA-N
XLogP2.32
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110370794
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 31921305
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione
CID 26681014
6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400122
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
2,3-dihydroindol-1-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 43325624
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one (CID 110766380) is 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one is O=C(c1ccc2[nH]c(=O)oc2c1)N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is SPJDPBOITOKOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15(18-8-7-10-3-1-2-4-13(10)18)11-5-6-12-14(9-11)21-16(20)17-12/h1-6,9H,7-8H2,(H,17,20).
What are the key properties of 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one?
6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 280.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110766380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).