1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol

C7H9F2NO2 — CID 170133729

IUPAC1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol
SMILESCc1oc(C(C)O)nc1C(F)F
InChIInChI=1S/C7H9F2NO2/c1-3(11)7-10-5(6(8)9)4(2)12-7/h3,6,11H,1-2H3
InChIKeyFTCQGFLMKLAGCW-UHFFFAOYSA-N
MW177.15 g/mol
LogP1.97
Rot. Bonds2

About 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol

1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol (PubChem CID 170133729) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol
PubChem CID170133729
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC Name1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol
SMILESCc1oc(C(C)O)nc1C(F)F
InChIInChI=1S/C7H9F2NO2/c1-3(11)7-10-5(6(8)9)4(2)12-7/h3,6,11H,1-2H3
InChIKeyFTCQGFLMKLAGCW-UHFFFAOYSA-N
XLogP1.97
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-1,3-oxazole-2-carbaldehyde
CID 14920525
(Dimethyl-1,3-oxazol-5-yl)methanol
CID 10558637
(Dimethyl-1,3-oxazol-2-yl)methanol
CID 54506708
4,5-Dimethyl-2-(trifluoromethyl)oxazole
CID 14639803
2,4-Dimethyl-5-trifluoromethyloxazole
CID 60019988
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethan-1-one
CID 83389104
1-(4,5-Dimethyloxazol-2-yl)ethanone
CID 12691730
[4-Methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-5-yl]methanol
CID 57571613
2,5-Dimethyl-4-(trifluoromethyl)-1,3-oxazole
CID 59146359
2,2,2-Trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanol
CID 67780165
4-Methyl-2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 68235767
5-Methyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235770

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol?
The IUPAC name of 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol (CID 170133729) is 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol?
The canonical SMILES for 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol is Cc1oc(C(C)O)nc1C(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol?
The InChIKey is FTCQGFLMKLAGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2/c1-3(11)7-10-5(6(8)9)4(2)12-7/h3,6,11H,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol?
1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol has a molecular weight of 177.15 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol is sourced from PubChem (CID 170133729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).