5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one

C17H20F3NO3 — CID 58324631

IUPAC5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one
SMILESCC(C)C1(C)OC(C[C@@H](C)c2ccccc2OC(F)(F)F)=NC1=O
InChIInChI=1S/C17H20F3NO3/c1-10(2)16(4)15(22)21-14(24-16)9-11(3)12-7-5-6-8-13(12)23-17(18,19)20/h5-8,10-11H,9H2,1-4H3/t11-,16?/m1/s1
InChIKeyDVZAARKBTLPKST-ZVDHGWRTSA-N
MW343.35 g/mol
LogP4.45
Rot. Bonds5

About 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one

5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one (PubChem CID 58324631) has the molecular formula C17H20F3NO3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one.

Molecular Properties

Compound Name5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one
PubChem CID58324631
Molecular FormulaC17H20F3NO3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one
SMILESCC(C)C1(C)OC(C[C@@H](C)c2ccccc2OC(F)(F)F)=NC1=O
InChIInChI=1S/C17H20F3NO3/c1-10(2)16(4)15(22)21-14(24-16)9-11(3)12-7-5-6-8-13(12)23-17(18,19)20/h5-8,10-11H,9H2,1-4H3/t11-,16?/m1/s1
InChIKeyDVZAARKBTLPKST-ZVDHGWRTSA-N
XLogP4.45
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one 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

(5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154713580
(5R)-5-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714991
(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one
CID 154714994
5-[1-(4-Fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 102368500
2-(4-Methoxyphenyl)-5-methyl-5-[1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one
CID 102368503

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one?
The IUPAC name of 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one (CID 58324631) is 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one.
What is the SMILES notation for 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one?
The canonical SMILES for 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one is CC(C)C1(C)OC(C[C@@H](C)c2ccccc2OC(F)(F)F)=NC1=O.
What is the InChIKey of 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one?
The InChIKey is DVZAARKBTLPKST-ZVDHGWRTSA-N. The full InChI is InChI=1S/C17H20F3NO3/c1-10(2)16(4)15(22)21-14(24-16)9-11(3)12-7-5-6-8-13(12)23-17(18,19)20/h5-8,10-11H,9H2,1-4H3/t11-,16?/m1/s1.
What are the key properties of 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one?
5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one has a molecular weight of 343.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yl-2-[(2R)-2-[2-(trifluoromethoxy)phenyl]propyl]-1,3-oxazol-4-one is sourced from PubChem (CID 58324631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).