1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone

C9H6ClN3O2 — CID 168932695

IUPAC1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1ocnc1-c1cc(Cl)ncn1
InChIInChI=1S/C9H6ClN3O2/c1-5(14)9-8(13-4-15-9)6-2-7(10)12-3-11-6/h2-4H,1H3
InChIKeyQVYMJDBVMGIYHD-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.99
Rot. Bonds2

About 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone

1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone (PubChem CID 168932695) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone
PubChem CID168932695
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1ocnc1-c1cc(Cl)ncn1
InChIInChI=1S/C9H6ClN3O2/c1-5(14)9-8(13-4-15-9)6-2-7(10)12-3-11-6/h2-4H,1H3
InChIKeyQVYMJDBVMGIYHD-UHFFFAOYSA-N
XLogP1.99
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone 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

1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine
CID 168932700
2-(6-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 104516547
1-(4-butyl-1,3-oxazol-5-yl)ethanone
CID 134232369
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
methyl 5-(6-chloropyrimidin-4-yl)thiophene-2-carboxylate
CID 150682087
methyl 4-chloro-1,3-oxazole-5-carboxylate
CID 131699557
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046
4-methyl-1,3-oxazole-5-carbonyl chloride
CID 2795217
4-chloro-6-(3-chloro-5-methylphenyl)pyrimidine;4,6-dichloropyrimidine;(3,5-dimethylphenyl)boronic acid
CID 162138853
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
4-[(E)-but-2-en-2-yl]-6-chloropyrimidine
CID 121205644
(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171758660

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone (CID 168932695) is 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone is CC(=O)c1ocnc1-c1cc(Cl)ncn1.
What is the InChIKey of 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is QVYMJDBVMGIYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c1-5(14)9-8(13-4-15-9)6-2-7(10)12-3-11-6/h2-4H,1H3.
What are the key properties of 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone?
1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 223.62 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 168932695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).