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

C16H15ClN4O3 — CID 53086714

IUPACN-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(C)nc2onc(C)c2c1=O
InChIInChI=1S/C16H15ClN4O3/c1-8-11(17)5-4-6-12(8)19-13(22)7-21-10(3)18-15-14(16(21)23)9(2)20-24-15/h4-6H,7H2,1-3H3,(H,19,22)
InChIKeyNQANBEYXPHOXQG-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.60
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 53086714) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID53086714
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(C)nc2onc(C)c2c1=O
InChIInChI=1S/C16H15ClN4O3/c1-8-11(17)5-4-6-12(8)19-13(22)7-21-10(3)18-15-14(16(21)23)9(2)20-24-15/h4-6H,7H2,1-3H3,(H,19,22)
InChIKeyNQANBEYXPHOXQG-UHFFFAOYSA-N
XLogP2.60
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 53086688
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074222
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
N-(3-chloro-2-methylphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371305
ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352859
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24607315
N-(2,3-dimethylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409147
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097759
N-(3-chloro-2-methylphenyl)-2-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
CID 50832053
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 53086714) is N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cn1c(C)nc2onc(C)c2c1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is NQANBEYXPHOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-8-11(17)5-4-6-12(8)19-13(22)7-21-10(3)18-15-14(16(21)23)9(2)20-24-15/h4-6H,7H2,1-3H3,(H,19,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 53086714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).