N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide

C18H17ClN6O4 — CID 129289701

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide
SMILESCN1C(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccc(Cl)cc3)no2)N(C)C1O
InChIInChI=1S/C18H17ClN6O4/c1-23-16-15(17(27)24(2)18(23)28)25(9-20-16)8-13(26)21-14-7-12(22-29-14)10-3-5-11(19)6-4-10/h3-7,9,18,28H,8H2,1-2H3,(H,21,26)
InChIKeyAKUAUMTYNOSSSI-UHFFFAOYSA-N
MW416.83 g/mol
LogP1.63
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide (PubChem CID 129289701) has the molecular formula C18H17ClN6O4 and a molecular weight of 416.83 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide
PubChem CID129289701
Molecular FormulaC18H17ClN6O4
Molecular Weight416.83 g/mol
Exact Mass416.10
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide
SMILESCN1C(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccc(Cl)cc3)no2)N(C)C1O
InChIInChI=1S/C18H17ClN6O4/c1-23-16-15(17(27)24(2)18(23)28)25(9-20-16)8-13(26)21-14-7-12(22-29-14)10-3-5-11(19)6-4-10/h3-7,9,18,28H,8H2,1-2H3,(H,21,26)
InChIKeyAKUAUMTYNOSSSI-UHFFFAOYSA-N
XLogP1.63
TPSA116.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 154934651
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621435
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 110302314
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide
CID 134544863
2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 134444436
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 30935825
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346296
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
CID 112503079
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346578
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide (CID 129289701) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide is CN1C(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccc(Cl)cc3)no2)N(C)C1O.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide?
The InChIKey is AKUAUMTYNOSSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O4/c1-23-16-15(17(27)24(2)18(23)28)25(9-20-16)8-13(26)21-14-7-12(22-29-14)10-3-5-11(19)6-4-10/h3-7,9,18,28H,8H2,1-2H3,(H,21,26).
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide has a molecular weight of 416.83 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide is sourced from PubChem (CID 129289701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).