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

C16H11N3O3 — CID 112522853

IUPACN-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1cccc2cc[nH]c12
InChIInChI=1S/C16H11N3O3/c20-15(10-4-1-3-9-7-8-17-13(9)10)18-11-5-2-6-12-14(11)22-16(21)19-12/h1-8,17H,(H,18,20)(H,19,21)
InChIKeyQDDPBROTJWFULU-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.85
Rot. Bonds2

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

N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide (PubChem CID 112522853) 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-7-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
PubChem CID112522853
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1cccc2cc[nH]c12
InChIInChI=1S/C16H11N3O3/c20-15(10-4-1-3-9-7-8-17-13(9)10)18-11-5-2-6-12-14(11)22-16(21)19-12/h1-8,17H,(H,18,20)(H,19,21)
InChIKeyQDDPBROTJWFULU-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-(1H-indol-4-yl)-1H-indole-7-carboxamide
CID 112526402
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide
CID 112525968
N-(2-methyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 79044351
6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
CID 112522745
6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
CID 167969035
N-(4-fluoro-2-iodophenyl)-1H-indole-7-carboxamide
CID 79766058
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
CID 112522723
1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
CID 110350578
N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112526586
[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate
CID 69027217
7-iodo-3H-1,3-benzoxazol-2-one
CID 130784539

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide (CID 112522853) is N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide is O=C(Nc1cccc2[nH]c(=O)oc12)c1cccc2cc[nH]c12.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide?
The InChIKey is QDDPBROTJWFULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-15(10-4-1-3-9-7-8-17-13(9)10)18-11-5-2-6-12-14(11)22-16(21)19-12/h1-8,17H,(H,18,20)(H,19,21).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide?
N-(2-oxo-3H-1,3-benzoxazol-7-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-7-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 112522853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).