4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole

C10H7Cl2NO2 — CID 131867696

IUPAC4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2noc(Cl)c2Cl)cc1
InChIInChI=1S/C10H7Cl2NO2/c1-14-7-4-2-6(3-5-7)9-8(11)10(12)15-13-9/h2-5H,1H3
InChIKeyZRGRCWQYNDWUCW-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.66
Rot. Bonds2

About 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole

4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 131867696) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
PubChem CID131867696
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2noc(Cl)c2Cl)cc1
InChIInChI=1S/C10H7Cl2NO2/c1-14-7-4-2-6(3-5-7)9-8(11)10(12)15-13-9/h2-5H,1H3
InChIKeyZRGRCWQYNDWUCW-UHFFFAOYSA-N
XLogP3.66
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole 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

4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 135855800
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 82373262
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-(4-methoxyphenyl)-5-methyl-4-nitro-1,2-oxazole
CID 154708659
2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole
CID 105499752
4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine
CID 83912296
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole (CID 131867696) is 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2noc(Cl)c2Cl)cc1.
What is the InChIKey of 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is ZRGRCWQYNDWUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c1-14-7-4-2-6(3-5-7)9-8(11)10(12)15-13-9/h2-5H,1H3.
What are the key properties of 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole?
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 244.08 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 131867696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).