1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C10H10F2N4O2 — CID 113329701

IUPAC1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1nccc(-c2noc(CC(O)C(F)F)n2)n1
InChIInChI=1S/C10H10F2N4O2/c1-5-13-3-2-6(14-5)10-15-8(18-16-10)4-7(17)9(11)12/h2-3,7,9,17H,4H2,1H3
InChIKeyCDKJQDFPRAYCFV-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.00
Rot. Bonds4

About 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 113329701) has the molecular formula C10H10F2N4O2 and a molecular weight of 256.21 g/mol. Its IUPAC name is 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID113329701
Molecular FormulaC10H10F2N4O2
Molecular Weight256.21 g/mol
Exact Mass256.08
IUPAC Name1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1nccc(-c2noc(CC(O)C(F)F)n2)n1
InChIInChI=1S/C10H10F2N4O2/c1-5-13-3-2-6(14-5)10-15-8(18-16-10)4-7(17)9(11)12/h2-3,7,9,17H,4H2,1H3
InChIKeyCDKJQDFPRAYCFV-UHFFFAOYSA-N
XLogP1.00
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 115531401
1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 113329705
1,1-difluoro-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349199
3-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 113329320
2-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 115529262
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316
N-ethyl-3-methyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115531504
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 115531466
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 115531511
[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 115531552
N-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 113329287
4-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 104677275

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 113329701) is 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is Cc1nccc(-c2noc(CC(O)C(F)F)n2)n1.
What is the InChIKey of 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is CDKJQDFPRAYCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O2/c1-5-13-3-2-6(14-5)10-15-8(18-16-10)4-7(17)9(11)12/h2-3,7,9,17H,4H2,1H3.
What are the key properties of 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 256.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 113329701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).