N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide

C22H20N4O2 — CID 110669843

IUPACN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccc(-c4c(C)noc4C)cc3)cc2nc1C
InChIInChI=1S/C22H20N4O2/c1-12-13(2)24-20-11-17(7-10-19(20)23-12)22(27)25-18-8-5-16(6-9-18)21-14(3)26-28-15(21)4/h5-11H,1-4H3,(H,25,27)
InChIKeyZZQOYCSUYKERQS-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.77
Rot. Bonds3

About N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110669843) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110669843
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccc(-c4c(C)noc4C)cc3)cc2nc1C
InChIInChI=1S/C22H20N4O2/c1-12-13(2)24-20-11-17(7-10-19(20)23-12)22(27)25-18-8-5-16(6-9-18)21-14(3)26-28-15(21)4/h5-11H,1-4H3,(H,25,27)
InChIKeyZZQOYCSUYKERQS-UHFFFAOYSA-N
XLogP4.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
CID 11258531
2,3-dimethyl-N-(5-methyl-3-pyridinyl)quinoxaline-6-carboxamide
CID 110744358
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110669835
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46563844
2,3-dimethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]quinoxaline-6-carboxamide
CID 9170999
2,3-dimethyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)quinoxaline-6-carboxamide
CID 110618929
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 2857830
tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916963
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117085382
1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea
CID 110669925
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46543736

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 110669843) is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)Nc3ccc(-c4c(C)noc4C)cc3)cc2nc1C.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is ZZQOYCSUYKERQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-12-13(2)24-20-11-17(7-10-19(20)23-12)22(27)25-18-8-5-16(6-9-18)21-14(3)26-28-15(21)4/h5-11H,1-4H3,(H,25,27).
What are the key properties of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110669843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).