4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole

C9H7F2NO — CID 101174791

IUPAC4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC1N=C(c2ccccc2)OC1F
InChIInChI=1S/C9H7F2NO/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5,7-8H
InChIKeySIIISOYCTFOBHH-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.05
Rot. Bonds1

About 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole

4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 101174791) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID101174791
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC1N=C(c2ccccc2)OC1F
InChIInChI=1S/C9H7F2NO/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5,7-8H
InChIKeySIIISOYCTFOBHH-UHFFFAOYSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]oxazole
CID 10584792
(4S,5S)-5-methyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 13191729
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
CID 89325688
[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 15259255
3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
CID 13276950
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)acetic acid
CID 18377518
4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol
CID 177065088
(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 139050906
(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-yl)methanamine
CID 115065638
2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
CID 135011554

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole (CID 101174791) is 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole is FC1N=C(c2ccccc2)OC1F.
What is the InChIKey of 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SIIISOYCTFOBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5,7-8H.
What are the key properties of 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole?
4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 183.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101174791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).