5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole

C44H32Cl2N2O4 — CID 139183533

IUPAC5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)cc1.COc1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/2C22H16ClNO2/c2*1-25-19-13-9-15(10-14-19)20-21(16-7-11-18(23)12-8-16)26-22(24-20)17-5-3-2-4-6-17/h2*2-14H,1H3
InChIKeyQJRWFLHVKVXQKQ-UHFFFAOYSA-N
MW723.66 g/mol
LogP12.68
Rot. Bonds8

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

5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole (PubChem CID 139183533) has the molecular formula C44H32Cl2N2O4 and a molecular weight of 723.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
PubChem CID139183533
Molecular FormulaC44H32Cl2N2O4
Molecular Weight723.66 g/mol
Exact Mass722.17
IUPAC Name5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)cc1.COc1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/2C22H16ClNO2/c2*1-25-19-13-9-15(10-14-19)20-21(16-7-11-18(23)12-8-16)26-22(24-20)17-5-3-2-4-6-17/h2*2-14H,1H3
InChIKeyQJRWFLHVKVXQKQ-UHFFFAOYSA-N
XLogP12.68
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.66
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
CID 54104212
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 173207485
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
CID 18330802
3-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methoxynaphthalen-2-ol
CID 137183963
4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
CID 15446599
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171
[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate
CID 69072680
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
CID 172549607
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole (CID 139183533) is 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole is COc1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)cc1.COc1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole?
The InChIKey is QJRWFLHVKVXQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16ClNO2/c2*1-25-19-13-9-15(10-14-19)20-21(16-7-11-18(23)12-8-16)26-22(24-20)17-5-3-2-4-6-17/h2*2-14H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole?
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole has a molecular weight of 723.66 g/mol, XLogP of 12.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 139183533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).