5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole

C11H8F3NO — CID 62707306

IUPAC5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole
SMILESC=C1CN=C(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C11H8F3NO/c1-7-6-15-10(16-7)8-2-4-9(5-3-8)11(12,13)14/h2-5H,1,6H2
InChIKeyQQSBCXCCLLNMPF-UHFFFAOYSA-N
MW227.18 g/mol
LogP3.00
Rot. Bonds1

About 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole

5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole (PubChem CID 62707306) has the molecular formula C11H8F3NO and a molecular weight of 227.18 g/mol. Its IUPAC name is 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole.

Molecular Properties

Compound Name5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole
PubChem CID62707306
Molecular FormulaC11H8F3NO
Molecular Weight227.18 g/mol
Exact Mass227.06
IUPAC Name5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole
SMILESC=C1CN=C(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C11H8F3NO/c1-7-6-15-10(16-7)8-2-4-9(5-3-8)11(12,13)14/h2-5H,1,6H2
InChIKeyQQSBCXCCLLNMPF-UHFFFAOYSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-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

(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 154718154
1-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 110540583
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 175669898
1,3,5,7-tetrakis[4-[4-(trifluoromethyl)phenyl]phenyl]adamantane
CID 56647379
trimethyl-[4-[2,4,6-tris[4-(trifluoromethyl)phenyl]-3,5-bis(4-trimethylsilylphenyl)phenyl]phenyl]silane
CID 102366685
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-yl]propan-1-amine
CID 115060752
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine
CID 141185370
3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 13365866
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329
4-[5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]aniline
CID 66968517
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole?
The IUPAC name of 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole (CID 62707306) is 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole.
What is the SMILES notation for 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole?
The canonical SMILES for 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole is C=C1CN=C(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole?
The InChIKey is QQSBCXCCLLNMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-7-6-15-10(16-7)8-2-4-9(5-3-8)11(12,13)14/h2-5H,1,6H2.
What are the key properties of 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole?
5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole has a molecular weight of 227.18 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole is sourced from PubChem (CID 62707306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).