(5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C8H12F3NO2 — CID 947859

IUPAC(5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC(C)CC1=NO[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-5(2)3-6-4-7(13,14-12-6)8(9,10)11/h5,13H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyDNFRNBVJXASVNP-ZETCQYMHSA-N
MW211.18 g/mol
LogP2.06
Rot. Bonds2

About (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

(5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 947859) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name(5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID947859
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name(5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC(C)CC1=NO[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-5(2)3-6-4-7(13,14-12-6)8(9,10)11/h5,13H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyDNFRNBVJXASVNP-ZETCQYMHSA-N
XLogP2.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-Butyl-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 534772
3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-3aH-cyclododeca[c][1,2]oxazol-3-ol
CID 42643487
3-(Trifluoromethyl)-3,3a,4,5,6,7,8,9-octahydrocycloocta[c][1,2]oxazol-3-ol
CID 71427260
3-(2-Methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-ol
CID 3764740
1,1,1,3,3,3-Hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
CID 59459500
(5R)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 947858
(5S)-3-tert-butyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 7111781
(5R)-3-tert-butyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 7111782
3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol
CID 15352259

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 947859) is (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is CC(C)CC1=NO[C@](O)(C(F)(F)F)C1.
What is the InChIKey of (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is DNFRNBVJXASVNP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(2)3-6-4-7(13,14-12-6)8(9,10)11/h5,13H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
(5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 211.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 947859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).