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

C16H17N3O4 — CID 52904676

IUPACN-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2
InChIInChI=1S/C16H17N3O4/c1-8-14(9(2)23-18-8)15(20)17-11-5-6-13-12(7-11)19(4)16(21)10(3)22-13/h5-7,10H,1-4H3,(H,17,20)/t10-/m1/s1
InChIKeyZOUMAFLUAFAUOB-SNVBAGLBSA-N
MW315.33 g/mol
LogP2.29
Rot. Bonds2

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

N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 52904676) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID52904676
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2
InChIInChI=1S/C16H17N3O4/c1-8-14(9(2)23-18-8)15(20)17-11-5-6-13-12(7-11)19(4)16(21)10(3)22-13/h5-7,10H,1-4H3,(H,17,20)/t10-/m1/s1
InChIKeyZOUMAFLUAFAUOB-SNVBAGLBSA-N
XLogP2.29
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793038
N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide
CID 42504506
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)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170512674
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide
CID 131904163
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
CID 110793039
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 52904676) is N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2.
What is the InChIKey of N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZOUMAFLUAFAUOB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-8-14(9(2)23-18-8)15(20)17-11-5-6-13-12(7-11)19(4)16(21)10(3)22-13/h5-7,10H,1-4H3,(H,17,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 52904676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).