2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide

C19H22N4O3 — CID 95074222

IUPAC2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCc1noc2nc(C)n(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c12
InChIInChI=1S/C19H22N4O3/c1-12(9-10-15-7-5-4-6-8-15)20-16(24)11-23-14(3)21-18-17(19(23)25)13(2)22-26-18/h4-8,12H,9-11H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyXLWQUNPWRGJUEU-LBPRGKRZSA-N
MW354.41 g/mol
LogP2.14
Rot. Bonds6

About 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 95074222) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID95074222
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCc1noc2nc(C)n(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c12
InChIInChI=1S/C19H22N4O3/c1-12(9-10-15-7-5-4-6-8-15)20-16(24)11-23-14(3)21-18-17(19(23)25)13(2)22-26-18/h4-8,12H,9-11H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyXLWQUNPWRGJUEU-LBPRGKRZSA-N
XLogP2.14
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086714
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 53086688
N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768186
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 51981540
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95185354
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
CID 93069314
3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 53008114
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
2-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92896368
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methoxypropyl)acetamide
CID 46350102

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 95074222) is 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide is Cc1noc2nc(C)n(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c12.
What is the InChIKey of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is XLWQUNPWRGJUEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(9-10-15-7-5-4-6-8-15)20-16(24)11-23-14(3)21-18-17(19(23)25)13(2)22-26-18/h4-8,12H,9-11H2,1-3H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 95074222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).