(2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide

C17H18N4O3 — CID 92751495

IUPAC(2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)n1cnc2onc(C)c2c1=O
InChIInChI=1S/C17H18N4O3/c1-9-6-5-7-10(2)14(9)19-15(22)12(4)21-8-18-16-13(17(21)23)11(3)20-24-16/h5-8,12H,1-4H3,(H,19,22)/t12-/m1/s1
InChIKeyDVNLDEPAXCWSSX-GFCCVEGCSA-N
MW326.36 g/mol
LogP2.51
Rot. Bonds3

About (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide

(2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 92751495) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID92751495
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)n1cnc2onc(C)c2c1=O
InChIInChI=1S/C17H18N4O3/c1-9-6-5-7-10(2)14(9)19-15(22)12(4)21-8-18-16-13(17(21)23)11(3)20-24-16/h5-8,12H,1-4H3,(H,19,22)/t12-/m1/s1
InChIKeyDVNLDEPAXCWSSX-GFCCVEGCSA-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

(2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 92751490
(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-methyl-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide
CID 92751483
(2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 7730536
(2S)-N-(5-chloro-2-methylphenyl)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 92874940
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 166689009
3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22334920
3-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409683
N-(2,6-dimethylphenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534343
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 44640223
(2S)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 1412653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 92751495) is (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide is Cc1cccc(C)c1NC(=O)[C@@H](C)n1cnc2onc(C)c2c1=O.
What is the InChIKey of (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is DVNLDEPAXCWSSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-9-6-5-7-10(2)14(9)19-15(22)12(4)21-8-18-16-13(17(21)23)11(3)20-24-16/h5-8,12H,1-4H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide?
(2R)-N-(2,6-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 (2R)-N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 92751495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).