2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole

C18H16ClNO2 — CID 141137433

IUPAC2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
SMILESCc1ccccc1OCc1nc(-c2cccc(Cl)c2)oc1C
InChIInChI=1S/C18H16ClNO2/c1-12-6-3-4-9-17(12)21-11-16-13(2)22-18(20-16)14-7-5-8-15(19)10-14/h3-10H,11H2,1-2H3
InChIKeyARFPAZWOJYXNLQ-UHFFFAOYSA-N
MW313.78 g/mol
LogP5.19
Rot. Bonds4

About 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole

2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole (PubChem CID 141137433) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
PubChem CID141137433
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
SMILESCc1ccccc1OCc1nc(-c2cccc(Cl)c2)oc1C
InChIInChI=1S/C18H16ClNO2/c1-12-6-3-4-9-17(12)21-11-16-13(2)22-18(20-16)14-7-5-8-15(19)10-14/h3-10H,11H2,1-2H3
InChIKeyARFPAZWOJYXNLQ-UHFFFAOYSA-N
XLogP5.19
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.78
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-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

2-[3-chloro-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11691818
2-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11641273
5-methyl-4-[(2-methylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 55511571
2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 141087712
3-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoic acid
CID 22273934
2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56759177
N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
CID 141128904
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884683
2-[[(1R,3S)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid
CID 59997902
1-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56745997
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 50811229

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole (CID 141137433) is 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole is Cc1ccccc1OCc1nc(-c2cccc(Cl)c2)oc1C.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole?
The InChIKey is ARFPAZWOJYXNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-12-6-3-4-9-17(12)21-11-16-13(2)22-18(20-16)14-7-5-8-15(19)10-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole?
2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole has a molecular weight of 313.78 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 141137433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).