N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide

C16H11N3O3 — CID 112525968

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc2cc[nH]c12
InChIInChI=1S/C16H11N3O3/c20-15(11-3-1-2-9-6-7-17-14(9)11)18-10-4-5-13-12(8-10)19-16(21)22-13/h1-8,17H,(H,18,20)(H,19,21)
InChIKeyHQRAPWUXXXGJNL-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.85
Rot. Bonds2

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide (PubChem CID 112525968) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide
PubChem CID112525968
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc2cc[nH]c12
InChIInChI=1S/C16H11N3O3/c20-15(11-3-1-2-9-6-7-17-14(9)11)18-10-4-5-13-12(8-10)19-16(21)22-13/h1-8,17H,(H,18,20)(H,19,21)
InChIKeyHQRAPWUXXXGJNL-UHFFFAOYSA-N
XLogP2.85
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-4-carboxamide
CID 112525958
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
CID 112522853
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide
CID 112523785
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
2-(difluoromethoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468167
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 39568217
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 60731828
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 37162940
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide (CID 112525968) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc2cc[nH]c12.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide?
The InChIKey is HQRAPWUXXXGJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-15(11-3-1-2-9-6-7-17-14(9)11)18-10-4-5-13-12(8-10)19-16(21)22-13/h1-8,17H,(H,18,20)(H,19,21).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 112525968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).