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

C11H10FNO — CID 90392955

IUPAC4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(Cc2ccc(F)cc2)co1
InChIInChI=1S/C11H10FNO/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKeySRRNJIWXILCDAD-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.71
Rot. Bonds2

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

4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole (PubChem CID 90392955) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole
PubChem CID90392955
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(Cc2ccc(F)cc2)co1
InChIInChI=1S/C11H10FNO/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKeySRRNJIWXILCDAD-UHFFFAOYSA-N
XLogP2.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-Phenylheptanoyl)oxazole-4-carbonitrile
CID 25147546
(Z)-1-(4-phenyloxazol-2-yl)octadec-9-en-1-one
CID 10070106
1-(4-Methyloxazol-2-yl)-7-phenylheptan-1-one
CID 44554442
2-(7-Phenylheptanoyl)oxazole-4-carbaldehyde
CID 44554445
1-(4-Acetyloxazol-2-yl)-7-phenylheptan-1-one
CID 44554446
7-Phenyl-1-(4-(2,2,2-trifluoroacetyl)oxazol-2-yl)heptan-1-one
CID 44554447
7-Phenyl-1-(4-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 44554787
1-[4-(2,2-Dimethylpropanoyl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
CID 127028614
Oxazole, 2-methyl-4-phenyl-
CID 88639
2-Iodo-4-phenyl-1,3-oxazole
CID 45142327
2-Methyl-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole
CID 162646494
2-Methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
CID 162649510

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole (CID 90392955) is 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole is Cc1nc(Cc2ccc(F)cc2)co1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole?
The InChIKey is SRRNJIWXILCDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole?
4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole has a molecular weight of 191.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 90392955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).