5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole

C9H10ClN3O — CID 80646038

IUPAC5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole
SMILESCCCn1cncc1-c1cc(Cl)on1
InChIInChI=1S/C9H10ClN3O/c1-2-3-13-6-11-5-8(13)7-4-9(10)14-12-7/h4-6H,2-3H2,1H3
InChIKeyGZFZNPVPQVWQRE-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.60
Rot. Bonds3

About 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole

5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole (PubChem CID 80646038) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole
PubChem CID80646038
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole
SMILESCCCn1cncc1-c1cc(Cl)on1
InChIInChI=1S/C9H10ClN3O/c1-2-3-13-6-11-5-8(13)7-4-9(10)14-12-7/h4-6H,2-3H2,1H3
InChIKeyGZFZNPVPQVWQRE-UHFFFAOYSA-N
XLogP2.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine
CID 66141277
[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine
CID 66134078
1-[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 114420343
[2-(3-propylimidazol-4-yl)-1,3-thiazol-5-yl]methanol
CID 66139508
4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine
CID 66140877
5-bromo-4-chloro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine
CID 66314171
4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine
CID 66311677
ethane;5-methyl-1-propylimidazole
CID 143939633
4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131156
5-(bromomethyl)-3-(3-methylimidazol-4-yl)-1,2-oxazole
CID 66117288
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 80646470
3-propylimidazole-4-carboxylic acid
CID 45082087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole (CID 80646038) is 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole is CCCn1cncc1-c1cc(Cl)on1.
What is the InChIKey of 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole?
The InChIKey is GZFZNPVPQVWQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-2-3-13-6-11-5-8(13)7-4-9(10)14-12-7/h4-6H,2-3H2,1H3.
What are the key properties of 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole?
5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole has a molecular weight of 211.65 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 80646038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).