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

C9H10F3NO2 — CID 143671860

IUPAC(Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol
SMILESCC/C=C(\O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-3-4-6(14)7-8(9(10,11)12)15-5(2)13-7/h4,14H,3H2,1-2H3/b6-4-
InChIKeySEDORJDZUMQYRY-XQRVVYSFSA-N
MW221.18 g/mol
LogP3.31
Rot. Bonds2

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

(Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol (PubChem CID 143671860) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol.

Molecular Properties

Compound Name(Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol
PubChem CID143671860
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name(Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol
SMILESCC/C=C(\O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-3-4-6(14)7-8(9(10,11)12)15-5(2)13-7/h4,14H,3H2,1-2H3/b6-4-
InChIKeySEDORJDZUMQYRY-XQRVVYSFSA-N
XLogP3.31
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-4-[5-methyl-4-[(1E)-2-(trifluoromethyl)penta-1,3-dienyl]-1,3-oxazol-2-yl]hepta-2,4,6-trien-3-ol
CID 173472453
2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol
CID 142101919
(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol
CID 142839556
4-fluoro-2-methyl-6H-1,3-benzoxazol-6-id-5-ol;tungsten
CID 168226707
2-[(2,5-Dimethyl-1,3-oxazol-4-yl)methylidene]propanedioic acid
CID 10708422
1-(2,5-Dimethyl-1,3-oxazol-4-yl)ethenol
CID 159797889

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol?
The IUPAC name of (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol (CID 143671860) is (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol.
What is the SMILES notation for (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol?
The canonical SMILES for (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol is CC/C=C(\O)c1nc(C)oc1C(F)(F)F.
What is the InChIKey of (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol?
The InChIKey is SEDORJDZUMQYRY-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-3-4-6(14)7-8(9(10,11)12)15-5(2)13-7/h4,14H,3H2,1-2H3/b6-4-.
What are the key properties of (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol?
(Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol has a molecular weight of 221.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol is sourced from PubChem (CID 143671860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).