[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

C20H15ClFNO2 — CID 67718573

IUPAC[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1ccc(F)cc1Cc1ccc(Cl)cc1)c1cnoc1C1CC1
InChIInChI=1S/C20H15ClFNO2/c21-15-5-1-12(2-6-15)9-14-10-16(22)7-8-17(14)19(24)18-11-23-25-20(18)13-3-4-13/h1-2,5-8,10-11,13H,3-4,9H2
InChIKeyCRTVXOSELMRHOD-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.17
Rot. Bonds5

About [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 67718573) has the molecular formula C20H15ClFNO2 and a molecular weight of 355.80 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID67718573
Molecular FormulaC20H15ClFNO2
Molecular Weight355.80 g/mol
Exact Mass355.08
IUPAC Name[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1ccc(F)cc1Cc1ccc(Cl)cc1)c1cnoc1C1CC1
InChIInChI=1S/C20H15ClFNO2/c21-15-5-1-12(2-6-15)9-14-10-16(22)7-8-17(14)19(24)18-11-23-25-20(18)13-3-4-13/h1-2,5-8,10-11,13H,3-4,9H2
InChIKeyCRTVXOSELMRHOD-UHFFFAOYSA-N
XLogP5.17
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.80
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 67718573) is [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is O=C(c1ccc(F)cc1Cc1ccc(Cl)cc1)c1cnoc1C1CC1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is CRTVXOSELMRHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO2/c21-15-5-1-12(2-6-15)9-14-10-16(22)7-8-17(14)19(24)18-11-23-25-20(18)13-3-4-13/h1-2,5-8,10-11,13H,3-4,9H2.
What are the key properties of [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 355.80 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 67718573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).