(2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide

C17H18N4O3 — CID 92751483

IUPAC(2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(N(C)C(=O)[C@@H](C)n2cnc3onc(C)c3c2=O)c1
InChIInChI=1S/C17H18N4O3/c1-10-6-5-7-13(8-10)20(4)16(22)12(3)21-9-18-15-14(17(21)23)11(2)19-24-15/h5-9,12H,1-4H3/t12-/m1/s1
InChIKeyQICGGDCYHGCPMF-GFCCVEGCSA-N
MW326.36 g/mol
LogP2.23
Rot. Bonds3

About (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide

(2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide (PubChem CID 92751483) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide
PubChem CID92751483
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(N(C)C(=O)[C@@H](C)n2cnc3onc(C)c3c2=O)c1
InChIInChI=1S/C17H18N4O3/c1-10-6-5-7-13(8-10)20(4)16(22)12(3)21-9-18-15-14(17(21)23)11(2)19-24-15/h5-9,12H,1-4H3/t12-/m1/s1
InChIKeyQICGGDCYHGCPMF-GFCCVEGCSA-N
XLogP2.23
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methyl-N-(3-methylphenyl)propanamide
CID 92874936
(2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 92751495
(2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 92751490
ethyl 5-[(2S)-1-(N-ethyl-3-methylanilino)-1-oxopropan-2-yl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 92875508
3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 166689009
5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 91328026
N-(2-ethylphenyl)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 20924606
N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
CID 50800505
(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide
CID 95064934
ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352953
2-amino-N-methyl-N-(3-methylphenyl)-2-phenylacetamide
CID 76931148
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide (CID 92751483) is (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide is Cc1cccc(N(C)C(=O)[C@@H](C)n2cnc3onc(C)c3c2=O)c1.
What is the InChIKey of (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is QICGGDCYHGCPMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-6-5-7-13(8-10)20(4)16(22)12(3)21-9-18-15-14(17(21)23)11(2)19-24-15/h5-9,12H,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide?
(2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 92751483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).