4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one

C23H18ClNO3 — CID 134901916

IUPAC4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1ccc(C(c2ccc(Cl)cc2)C2N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C23H18ClNO3/c1-27-19-13-9-16(10-14-19)20(15-7-11-18(24)12-8-15)21-23(26)28-22(25-21)17-5-3-2-4-6-17/h2-14,20-21H,1H3
InChIKeyJBBSVPFCHDTFFV-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.85
Rot. Bonds5

About 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one

4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 134901916) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID134901916
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC Name4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1ccc(C(c2ccc(Cl)cc2)C2N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C23H18ClNO3/c1-27-19-13-9-16(10-14-19)20(15-7-11-18(24)12-8-15)21-23(26)28-22(25-21)17-5-3-2-4-6-17/h2-14,20-21H,1H3
InChIKeyJBBSVPFCHDTFFV-UHFFFAOYSA-N
XLogP4.85
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one (CID 134901916) is 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one is COc1ccc(C(c2ccc(Cl)cc2)C2N=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is JBBSVPFCHDTFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c1-27-19-13-9-16(10-14-19)20(15-7-11-18(24)12-8-15)21-23(26)28-22(25-21)17-5-3-2-4-6-17/h2-14,20-21H,1H3.
What are the key properties of 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one?
4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 391.85 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 134901916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).