5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole

C16H14FNO — CID 10901219

IUPAC5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole
SMILESCN1CC(c2ccccc2)=C(c2ccc(F)cc2)O1
InChIInChI=1S/C16H14FNO/c1-18-11-15(12-5-3-2-4-6-12)16(19-18)13-7-9-14(17)10-8-13/h2-10H,11H2,1H3
InChIKeyYMXUABAWYDXQKS-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.57
Rot. Bonds2

About 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole

5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole (PubChem CID 10901219) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole
PubChem CID10901219
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole
SMILESCN1CC(c2ccccc2)=C(c2ccc(F)cc2)O1
InChIInChI=1S/C16H14FNO/c1-18-11-15(12-5-3-2-4-6-12)16(19-18)13-7-9-14(17)10-8-13/h2-10H,11H2,1H3
InChIKeyYMXUABAWYDXQKS-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Fluoro-phenyl)-2-methyl-5-phenyl-2,3-dihydro-isoxazole
CID 11097158
4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole
CID 10924616
4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole
CID 10912676
5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole
CID 11781593
N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
CID 15880805
2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
CID 11514657
4,5-Diphenyl-4-isoxazoline
CID 69408451
N-methyl-phenoxyphenylpropylamine
CID 129864761
5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole
CID 11493172
5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole
CID 11500042
2-Benzyl-5-(2,5-difluorophenyl)-3-phenyl-2,3-dihydroisoxazole
CID 11602714
2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole
CID 11638697

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole (CID 10901219) is 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole is CN1CC(c2ccccc2)=C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole?
The InChIKey is YMXUABAWYDXQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-18-11-15(12-5-3-2-4-6-12)16(19-18)13-7-9-14(17)10-8-13/h2-10H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole?
5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-4-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 10901219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).