1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol

C9H7F3N4O2 — CID 63345603

IUPAC1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESOC(Cc1nc(-c2ncccn2)no1)C(F)(F)F
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)5(17)4-6-15-8(16-18-6)7-13-2-1-3-14-7/h1-3,5,17H,4H2
InChIKeyWEKALQSHHFABQM-UHFFFAOYSA-N
MW260.17 g/mol
LogP0.99
Rot. Bonds3

About 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol

1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 63345603) has the molecular formula C9H7F3N4O2 and a molecular weight of 260.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID63345603
Molecular FormulaC9H7F3N4O2
Molecular Weight260.17 g/mol
Exact Mass260.05
IUPAC Name1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESOC(Cc1nc(-c2ncccn2)no1)C(F)(F)F
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)5(17)4-6-15-8(16-18-6)7-13-2-1-3-14-7/h1-3,5,17H,4H2
InChIKeyWEKALQSHHFABQM-UHFFFAOYSA-N
XLogP0.99
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345645
1,1,1-trifluoro-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345875
1,1,1-trifluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 55200862
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345690
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63349614
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63346050
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348786
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 107915774
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile
CID 106523990
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 116809022
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63349341
1,1,1-trifluoro-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63346056

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 63345603) is 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is OC(Cc1nc(-c2ncccn2)no1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is WEKALQSHHFABQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2/c10-9(11,12)5(17)4-6-15-8(16-18-6)7-13-2-1-3-14-7/h1-3,5,17H,4H2.
What are the key properties of 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 260.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 63345603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).