(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol

C23H22F3NO3 — CID 10693273

IUPAC(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol
SMILESCC/C(=C/CO)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1
InChIInChI=1S/C23H22F3NO3/c1-3-16(11-12-28)18-5-4-6-20(13-18)29-14-21-15(2)30-22(27-21)17-7-9-19(10-8-17)23(24,25)26/h4-11,13,28H,3,12,14H2,1-2H3/b16-11-
InChIKeyVNWFUKDJYZKABA-WJDWOHSUSA-N
MW417.43 g/mol
LogP6.03
Rot. Bonds7

About (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol

(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol (PubChem CID 10693273) has the molecular formula C23H22F3NO3 and a molecular weight of 417.43 g/mol. Its IUPAC name is (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol
PubChem CID10693273
Molecular FormulaC23H22F3NO3
Molecular Weight417.43 g/mol
Exact Mass417.16
IUPAC Name(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol
SMILESCC/C(=C/CO)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1
InChIInChI=1S/C23H22F3NO3/c1-3-16(11-12-28)18-5-4-6-20(13-18)29-14-21-15(2)30-22(27-21)17-7-9-19(10-8-17)23(24,25)26/h4-11,13,28H,3,12,14H2,1-2H3/b16-11-
InChIKeyVNWFUKDJYZKABA-WJDWOHSUSA-N
XLogP6.03
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.43
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol with MolForge

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Related Compounds

1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-1-one
CID 10572402
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
(E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol
CID 10526778
ethyl (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]undec-2-enoate
CID 10650178
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-one
CID 67695187
[2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol
CID 10763682
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]undec-2-enyl]amino] carbonate
CID 10771121
(E)-3-[3-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol
CID 10620366
ethyl (E)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enoate
CID 10837705
N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
CID 10569860
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]propanoic acid
CID 11442504

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol?
The IUPAC name of (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol (CID 10693273) is (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol.
What is the SMILES notation for (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol?
The canonical SMILES for (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol is CC/C(=C/CO)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1.
What is the InChIKey of (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol?
The InChIKey is VNWFUKDJYZKABA-WJDWOHSUSA-N. The full InChI is InChI=1S/C23H22F3NO3/c1-3-16(11-12-28)18-5-4-6-20(13-18)29-14-21-15(2)30-22(27-21)17-7-9-19(10-8-17)23(24,25)26/h4-11,13,28H,3,12,14H2,1-2H3/b16-11-.
What are the key properties of (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol?
(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol has a molecular weight of 417.43 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]pent-2-en-1-ol is sourced from PubChem (CID 10693273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).