4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide

C19H17N5O3 — CID 90794572

IUPAC4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide
SMILESCN1C(=O)CN(Nc2ccc(C(=O)Nc3ccon3)cc2)c2ccccc21
InChIInChI=1S/C19H17N5O3/c1-23-15-4-2-3-5-16(15)24(12-18(23)25)21-14-8-6-13(7-9-14)19(26)20-17-10-11-27-22-17/h2-11,21H,12H2,1H3,(H,20,22,26)
InChIKeyHLTNBMDPFIVOKD-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.74
Rot. Bonds4

About 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide

4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 90794572) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide
PubChem CID90794572
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide
SMILESCN1C(=O)CN(Nc2ccc(C(=O)Nc3ccon3)cc2)c2ccccc21
InChIInChI=1S/C19H17N5O3/c1-23-15-4-2-3-5-16(15)24(12-18(23)25)21-14-8-6-13(7-9-14)19(26)20-17-10-11-27-22-17/h2-11,21H,12H2,1H3,(H,20,22,26)
InChIKeyHLTNBMDPFIVOKD-UHFFFAOYSA-N
XLogP2.74
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 91419349
N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide
CID 110669527
3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 121079977
4-cyano-N-(1,2-oxazol-3-yl)benzamide
CID 60660035
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
6-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62903794
4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269
6-benzyl-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 110091044
N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
CID 140532901

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide (CID 90794572) is 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide is CN1C(=O)CN(Nc2ccc(C(=O)Nc3ccon3)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is HLTNBMDPFIVOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-23-15-4-2-3-5-16(15)24(12-18(23)25)21-14-8-6-13(7-9-14)19(26)20-17-10-11-27-22-17/h2-11,21H,12H2,1H3,(H,20,22,26).
What are the key properties of 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide?
4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 90794572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).