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

C10H9F2NO — CID 102448797

IUPAC(4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)C1=N[C@@H](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/t8-/m1/s1
InChIKeyVVVCXRDSOYECBW-MRVPVSSYSA-N
MW197.18 g/mol
LogP2.42
Rot. Bonds2

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

(4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 102448797) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID102448797
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name(4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)C1=N[C@@H](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/t8-/m1/s1
InChIKeyVVVCXRDSOYECBW-MRVPVSSYSA-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 (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 102448797) is (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole is FC(F)C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is VVVCXRDSOYECBW-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-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 (4S)-2-(difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102448797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).