(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

C14H16F3NO — CID 154718154

IUPAC(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C14H16F3NO/c1-13(2,3)11-8-19-12(18-11)9-4-6-10(7-5-9)14(15,16)17/h4-7,11H,8H2,1-3H3/t11-/m0/s1
InChIKeyDLUJSKFWRSCEDG-NSHDSACASA-N
MW271.28 g/mol
LogP3.90
Rot. Bonds1

About (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 154718154) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID154718154
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C14H16F3NO/c1-13(2,3)11-8-19-12(18-11)9-4-6-10(7-5-9)14(15,16)17/h4-7,11H,8H2,1-3H3/t11-/m0/s1
InChIKeyDLUJSKFWRSCEDG-NSHDSACASA-N
XLogP3.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-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)-2-[2-bromo-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 139264038
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 175669898
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15447611
[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenyl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane
CID 165095216
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methoxyphenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 16726702
2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine
CID 117311370
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061053
(4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 11173998
(4S)-2-[2-[2,6-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 23727304
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
CID 72835928
CID 72835928
CID 134879893
CID 134879893

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 154718154) is (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@@H]1COC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DLUJSKFWRSCEDG-NSHDSACASA-N. The full InChI is InChI=1S/C14H16F3NO/c1-13(2,3)11-8-19-12(18-11)9-4-6-10(7-5-9)14(15,16)17/h4-7,11H,8H2,1-3H3/t11-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 271.28 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154718154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).