(2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide

C15H16N4O3 — CID 92583155

IUPAC(2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)n1ccnc1
InChIInChI=1S/C15H16N4O3/c1-9(19-6-5-16-8-19)14(20)17-11-3-4-13-12(7-11)18-15(21)10(2)22-13/h3-10H,1-2H3,(H,17,20)(H,18,21)/t9-,10-/m1/s1
InChIKeyMMAMSOCZVUQDOI-NXEZZACHSA-N
MW300.32 g/mol
LogP1.80
Rot. Bonds3

About (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide

(2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide (PubChem CID 92583155) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
PubChem CID92583155
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)n1ccnc1
InChIInChI=1S/C15H16N4O3/c1-9(19-6-5-16-8-19)14(20)17-11-3-4-13-12(7-11)18-15(21)10(2)22-13/h3-10H,1-2H3,(H,17,20)(H,18,21)/t9-,10-/m1/s1
InChIKeyMMAMSOCZVUQDOI-NXEZZACHSA-N
XLogP1.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273978
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-piperidin-1-ylbutanamide
CID 47074811
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide
CID 18093093
(2S)-2-(4-chlorophenyl)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 9145300
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
CID 17424246
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 94176787
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616

Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The IUPAC name of (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide (CID 92583155) is (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide.
What is the SMILES notation for (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The canonical SMILES for (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide is C[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)n1ccnc1.
What is the InChIKey of (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The InChIKey is MMAMSOCZVUQDOI-NXEZZACHSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9(19-6-5-16-8-19)14(20)17-11-3-4-13-12(7-11)18-15(21)10(2)22-13/h3-10H,1-2H3,(H,17,20)(H,18,21)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
(2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide has a molecular weight of 300.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide is sourced from PubChem (CID 92583155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).