N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide

C20H17N3O4 — CID 51065384

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2N(C)C1=O
InChIInChI=1S/C20H17N3O4/c1-12-20(25)23(2)16-10-14(8-9-17(16)26-12)21-19(24)15-11-18(27-22-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,24)
InChIKeyRZRHLWAELJNTOF-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.34
Rot. Bonds3

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 51065384) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID51065384
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2N(C)C1=O
InChIInChI=1S/C20H17N3O4/c1-12-20(25)23(2)16-10-14(8-9-17(16)26-12)21-19(24)15-11-18(27-22-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,24)
InChIKeyRZRHLWAELJNTOF-UHFFFAOYSA-N
XLogP3.34
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793038
2-(aminomethyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154915006
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 92612976
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131931944
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 131949324
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 45155060
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
5-(4-bromophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-3-carboxamide
CID 35576314

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 51065384) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide is CC1Oc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2N(C)C1=O.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is RZRHLWAELJNTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-12-20(25)23(2)16-10-14(8-9-17(16)26-12)21-19(24)15-11-18(27-22-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51065384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).