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

C17H18N4O3 — CID 92751490

IUPAC(2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)n2cnc3onc(C)c3c2=O)c1C
InChIInChI=1S/C17H18N4O3/c1-9-6-5-7-13(10(9)2)19-15(22)12(4)21-8-18-16-14(17(21)23)11(3)20-24-16/h5-8,12H,1-4H3,(H,19,22)/t12-/m0/s1
InChIKeyOPPVJBZVIUERQK-LBPRGKRZSA-N
MW326.36 g/mol
LogP2.51
Rot. Bonds3

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

(2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 92751490) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID92751490
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)n2cnc3onc(C)c3c2=O)c1C
InChIInChI=1S/C17H18N4O3/c1-9-6-5-7-13(10(9)2)19-15(22)12(4)21-8-18-16-14(17(21)23)11(3)20-24-16/h5-8,12H,1-4H3,(H,19,22)/t12-/m0/s1
InChIKeyOPPVJBZVIUERQK-LBPRGKRZSA-N
XLogP2.51
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 92751495
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
3-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409683
(2R)-N-(2,3-dimethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7710373
(2R)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2,6-dimethylphenyl)propanamide
CID 92874951
(2R)-N-(2,3-dimethylphenyl)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]propanamide
CID 7710369
(2S)-N-(5-chloro-2-methylphenyl)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 92874940
(2R)-N-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide
CID 92751483
3-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409932
N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19534180
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 19533298

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 92751490) is (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide is Cc1cccc(NC(=O)[C@H](C)n2cnc3onc(C)c3c2=O)c1C.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is OPPVJBZVIUERQK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-9-6-5-7-13(10(9)2)19-15(22)12(4)21-8-18-16-14(17(21)23)11(3)20-24-16/h5-8,12H,1-4H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
(2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 92751490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).