2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole

C18H15F2NO — CID 154707016

IUPAC2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole
SMILESFC(F)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H15F2NO/c19-15(20)11-12-16-21-17(13-7-3-1-4-8-13)18(22-16)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyCXWNRCLZEOTCNT-UHFFFAOYSA-N
MW299.32 g/mol
LogP5.21
Rot. Bonds5

About 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole

2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole (PubChem CID 154707016) has the molecular formula C18H15F2NO and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole
PubChem CID154707016
Molecular FormulaC18H15F2NO
Molecular Weight299.32 g/mol
Exact Mass299.11
IUPAC Name2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole
SMILESFC(F)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H15F2NO/c19-15(20)11-12-16-21-17(13-7-3-1-4-8-13)18(22-16)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyCXWNRCLZEOTCNT-UHFFFAOYSA-N
XLogP5.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.32
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxaprozin
CID 4614
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-Amino-4,5-diphenyloxazole
CID 188210
2-(2'-Methylphenyl)benzoxazole
CID 154899
Dimethyl-POPOP
CID 76491
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Diphenyloxazole
CID 168750
Phenylpropanoic acid derivative, 56
CID 10164032
Phenylpropanoic acid derivative, 57
CID 10164033

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole (CID 154707016) is 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole is FC(F)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is CXWNRCLZEOTCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO/c19-15(20)11-12-16-21-17(13-7-3-1-4-8-13)18(22-16)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole?
2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 299.32 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropyl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 154707016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).