4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole

C11H12FNO — CID 158585992

IUPAC4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(c2cccc(F)c2C)CO1
InChIInChI=1S/C11H12FNO/c1-7-9(4-3-5-10(7)12)11-6-14-8(2)13-11/h3-5,11H,6H2,1-2H3
InChIKeyHTVGVSDJSYUQPE-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.62
Rot. Bonds1

About 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole

4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 158585992) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID158585992
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(c2cccc(F)c2C)CO1
InChIInChI=1S/C11H12FNO/c1-7-9(4-3-5-10(7)12)11-6-14-8(2)13-11/h3-5,11H,6H2,1-2H3
InChIKeyHTVGVSDJSYUQPE-UHFFFAOYSA-N
XLogP2.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

RO-5263397
CID 56835991
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
AG-H-02521
CID 5325154
(4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24966822
(4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323624
(4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323682
4-(4-Fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323706
4-[5-Fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323721
(4R)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323725
4-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323744
4-(3-Fluoro-2-methylphenyl)-4,5-dihydrooxazol-2-amine
CID 59323748

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole (CID 158585992) is 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole is CC1=NC(c2cccc(F)c2C)CO1.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is HTVGVSDJSYUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7-9(4-3-5-10(7)12)11-6-14-8(2)13-11/h3-5,11H,6H2,1-2H3.
What are the key properties of 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 158585992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).