7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione

C17H15ClN4O4 — CID 73281137

IUPAC7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCC(=O)CN1C(=O)C2C(N=C3OC(c4ccc(Cl)cc4)=CN32)N(C)C1=O
InChIInChI=1S/C17H15ClN4O4/c1-9(23)7-22-15(24)13-14(20(2)17(22)25)19-16-21(13)8-12(26-16)10-3-5-11(18)6-4-10/h3-6,8,13-14H,7H2,1-2H3
InChIKeyRSGIWCQMAWJQJR-UHFFFAOYSA-N
MW374.78 g/mol
LogP1.52
Rot. Bonds3

About 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione

7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione (PubChem CID 73281137) has the molecular formula C17H15ClN4O4 and a molecular weight of 374.78 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
PubChem CID73281137
Molecular FormulaC17H15ClN4O4
Molecular Weight374.78 g/mol
Exact Mass374.08
IUPAC Name7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCC(=O)CN1C(=O)C2C(N=C3OC(c4ccc(Cl)cc4)=CN32)N(C)C1=O
InChIInChI=1S/C17H15ClN4O4/c1-9(23)7-22-15(24)13-14(20(2)17(22)25)19-16-21(13)8-12(26-16)10-3-5-11(18)6-4-10/h3-6,8,13-14H,7H2,1-2H3
InChIKeyRSGIWCQMAWJQJR-UHFFFAOYSA-N
XLogP1.52
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-4-methyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 73284326
4-methyl-2-[(4-methylphenyl)methyl]-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 73283827
2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 78370134
6-(2-fluorophenyl)-4,7-dimethyl-2-(2-oxopropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78413610
2-[6-(4-chlorophenyl)-4-methyl-1,3-dioxo-4a,7,8,9a-tetrahydropurino[7,8-a]imidazol-2-yl]acetic acid
CID 78413797
6-(4-fluorophenyl)-4,7-dimethyl-2-(2-oxopropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78305339
methyl 2-[[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl]sulfanyl]acetate
CID 73448815
4-methyl-6-(3-methylphenyl)-2-(2-oxopropyl)-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283230
6-(3-methoxyphenyl)-4-methyl-2-(2-oxopropyl)-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73281297
2-[(4-chlorophenyl)methyl]-4,7-dimethyl-6-prop-2-enyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73281206
2-[2-(4-chlorophenyl)-2-oxoethyl]-4,7,8-trimethyl-6-propyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78415283
2-(4-methyl-1,3-dioxo-6,7-diphenyl-4a,9a-dihydropurino[7,8-a]imidazol-2-yl)acetic acid
CID 73402088

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The IUPAC name of 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione (CID 73281137) is 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The canonical SMILES for 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione is CC(=O)CN1C(=O)C2C(N=C3OC(c4ccc(Cl)cc4)=CN32)N(C)C1=O.
What is the InChIKey of 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The InChIKey is RSGIWCQMAWJQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4/c1-9(23)7-22-15(24)13-14(20(2)17(22)25)19-16-21(13)8-12(26-16)10-3-5-11(18)6-4-10/h3-6,8,13-14H,7H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione has a molecular weight of 374.78 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione is sourced from PubChem (CID 73281137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).