5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole

C13H14FNO — CID 59346608

IUPAC5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C13H14FNO/c1-9(2)13-15-8-12(16-13)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyPQMRRTFJFVRYPN-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.53
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole

5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole (PubChem CID 59346608) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
PubChem CID59346608
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C13H14FNO/c1-9(2)13-15-8-12(16-13)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyPQMRRTFJFVRYPN-UHFFFAOYSA-N
XLogP3.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-Phenylheptanoyl)oxazole-5-carbonitrile
CID 11991895
7-Phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 11991896
2-Cyclohexyl-5-phenyloxazole
CID 87832
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
3-(4-Phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
CID 24800332
1-(5-Acetyl-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991811
7-Phenyl-1-(5-(2,2,2-trifluoroacetyl)oxazol-2-yl)heptan-1-one
CID 11991812
1-(5-Methyl-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991888
1-(5-Fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991891
5-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pentanal
CID 76310896
5-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pentanoic acid
CID 76314534
S-methyl 5-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pentanethioate
CID 76318113

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole (CID 59346608) is 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole is CC(C)c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is PQMRRTFJFVRYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9(2)13-15-8-12(16-13)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole?
5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 219.26 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 59346608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).