N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide

C19H15N5O3 — CID 11451272

IUPACN-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCn1c(=O)c(Nc2ccc(NC(=O)c3ccno3)cc2)nc2ccccc21
InChIInChI=1S/C19H15N5O3/c1-24-15-5-3-2-4-14(15)23-17(19(24)26)21-12-6-8-13(9-7-12)22-18(25)16-10-11-20-27-16/h2-11H,1H3,(H,21,23)(H,22,25)
InChIKeyBNSSSVJRNPIXFQ-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.92
Rot. Bonds4

About N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide

N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 11451272) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID11451272
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCn1c(=O)c(Nc2ccc(NC(=O)c3ccno3)cc2)nc2ccccc21
InChIInChI=1S/C19H15N5O3/c1-24-15-5-3-2-4-14(15)23-17(19(24)26)21-12-6-8-13(9-7-12)22-18(25)16-10-11-20-27-16/h2-11H,1H3,(H,21,23)(H,22,25)
InChIKeyBNSSSVJRNPIXFQ-UHFFFAOYSA-N
XLogP2.92
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide
CID 70692177
N-(2-(piperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 11277266
N-ethyl-N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]isoxazole-5-carboxamide
CID 54730641
N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide
CID 45137578
N-[3-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 44403054
N-[5-(2-aminoanilino)-5-oxopentyl]-1,2-oxazole-5-carboxamide
CID 60207654
N-(3-(4-phenylpiperazin-1-yl)propyl)isoxazole-5-carboxamide
CID 45561396
N-(2-(4-(4-fluorophenyl)piperazin-1-yl)ethyl)isoxazole-5-carboxamide
CID 45560294
5-Isoxazolecarboxamide, N-[4-(2-phenyldiazenyl)phenyl]-
CID 41149579
N-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)isoxazole-5-carboxamide
CID 45560752
N-(2-amino-5-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 63257547
N-(2-(4-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)ethyl)isoxazole-5-carboxamide
CID 90516180

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide (CID 11451272) is N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide is Cn1c(=O)c(Nc2ccc(NC(=O)c3ccno3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BNSSSVJRNPIXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-24-15-5-3-2-4-14(15)23-17(19(24)26)21-12-6-8-13(9-7-12)22-18(25)16-10-11-20-27-16/h2-11H,1H3,(H,21,23)(H,22,25).
What are the key properties of N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide?
N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11451272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).