2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole

C9H8F3NO — CID 142292478

IUPAC2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)CCC(C(F)(F)F)=C2
InChIInChI=1S/C9H8F3NO/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h4H,2-3H2,1H3
InChIKeyBMZNCLITWYXRTA-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.87
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole

2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole (PubChem CID 142292478) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
PubChem CID142292478
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)CCC(C(F)(F)F)=C2
InChIInChI=1S/C9H8F3NO/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h4H,2-3H2,1H3
InChIKeyBMZNCLITWYXRTA-UHFFFAOYSA-N
XLogP2.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole 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

2-(5-Ethyl-7-fluorocyclohepta-1,3,6-trien-1-yl)-7-methyl-5-(trifluoromethyl)-8,9-dihydrocycloocta[d][1,3]oxazole
CID 123637538
4-Methyl-5-(2-methylidenebut-3-enyl)-2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,3-oxazole
CID 134580655
2-Butyl-6,7-dihydro-1,3-benzoxazole-6-carbaldehyde;ethane;1,1,1-trifluoropropane
CID 142016946
5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439
2-Ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
CID 142292476
Ethane;2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292477
trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134844121
trimethyl-[(Z,3E)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134844122
2-Fluoro-6,7-dihydro-1,3-benzoxazole
CID 144710526
2-Methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 148800021
(1E,3Z)-2-fluoro-3-[5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazol-2-yl]hexa-1,3-dien-1-amine
CID 162558482
2,5,6-Trimethyl-4,7-dimethylidene-1,3-benzoxazole
CID 58975922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole (CID 142292478) is 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole is Cc1nc2c(o1)CCC(C(F)(F)F)=C2.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole?
The InChIKey is BMZNCLITWYXRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole?
2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole has a molecular weight of 203.16 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 142292478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).