2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole

C10H9F2NO — CID 161413892

IUPAC2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)C1=NC(c2ccccc2)CO1
InChIInChI=1S/C10H9F2NO/c11-9(12)10-13-8(6-14-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyVVVCXRDSOYECBW-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.42
Rot. Bonds2

About 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole

2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 161413892) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID161413892
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)C1=NC(c2ccccc2)CO1
InChIInChI=1S/C10H9F2NO/c11-9(12)10-13-8(6-14-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyVVVCXRDSOYECBW-UHFFFAOYSA-N
XLogP2.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 161413892) is 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole is FC(F)C1=NC(c2ccccc2)CO1.
What is the InChIKey of 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is VVVCXRDSOYECBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-9(12)10-13-8(6-14-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2.
What are the key properties of 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 197.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 161413892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).