N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

C16H12N4O3 — CID 110683355

IUPACN-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(=O)Nc3ccc4cn[nH]c4c3)cc21
InChIInChI=1S/C16H12N4O3/c1-20-13-6-9(3-5-14(13)23-16(20)22)15(21)18-11-4-2-10-8-17-19-12(10)7-11/h2-8H,1H3,(H,17,19)(H,18,21)
InChIKeyAETKXQKDKDXLBE-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.26
Rot. Bonds2

About N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 110683355) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID110683355
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(=O)Nc3ccc4cn[nH]c4c3)cc21
InChIInChI=1S/C16H12N4O3/c1-20-13-6-9(3-5-14(13)23-16(20)22)15(21)18-11-4-2-10-8-17-19-12(10)7-11/h2-8H,1H3,(H,17,19)(H,18,21)
InChIKeyAETKXQKDKDXLBE-UHFFFAOYSA-N
XLogP2.26
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683329
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide
CID 36560800

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 110683355) is N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is Cn1c(=O)oc2ccc(C(=O)Nc3ccc4cn[nH]c4c3)cc21.
What is the InChIKey of N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is AETKXQKDKDXLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-20-13-6-9(3-5-14(13)23-16(20)22)15(21)18-11-4-2-10-8-17-19-12(10)7-11/h2-8H,1H3,(H,17,19)(H,18,21).
What are the key properties of N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110683355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).