(4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone

C18H16ClNO2 — CID 10358236

IUPAC(4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone
SMILESCC1(C)COC(c2ccccc2C(=O)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H16ClNO2/c1-18(2)11-22-17(20-18)15-6-4-3-5-14(15)16(21)12-7-9-13(19)10-8-12/h3-10H,11H2,1-2H3
InChIKeyVBNAWUZKRBGGIK-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.13
Rot. Bonds3

About (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone

(4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone (PubChem CID 10358236) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone
PubChem CID10358236
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name(4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone
SMILESCC1(C)COC(c2ccccc2C(=O)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H16ClNO2/c1-18(2)11-22-17(20-18)15-6-4-3-5-14(15)16(21)12-7-9-13(19)10-8-12/h3-10H,11H2,1-2H3
InChIKeyVBNAWUZKRBGGIK-UHFFFAOYSA-N
XLogP4.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone (CID 10358236) is (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone is CC1(C)COC(c2ccccc2C(=O)c2ccc(Cl)cc2)=N1.
What is the InChIKey of (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone?
The InChIKey is VBNAWUZKRBGGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-18(2)11-22-17(20-18)15-6-4-3-5-14(15)16(21)12-7-9-13(19)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone?
(4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone has a molecular weight of 313.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone is sourced from PubChem (CID 10358236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).