2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol

C12H20N4O2 — CID 164643095

IUPAC2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC(C)C1=NO[C@H](c2ncnn2CC(C)(C)O)C1
InChIInChI=1S/C12H20N4O2/c1-8(2)9-5-10(18-15-9)11-13-7-14-16(11)6-12(3,4)17/h7-8,10,17H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyYCTIYZOHHFQGET-JTQLQIEISA-N
MW252.32 g/mol
LogP1.52
Rot. Bonds4

About 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol

2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol (PubChem CID 164643095) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol
PubChem CID164643095
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC(C)C1=NO[C@H](c2ncnn2CC(C)(C)O)C1
InChIInChI=1S/C12H20N4O2/c1-8(2)9-5-10(18-15-9)11-13-7-14-16(11)6-12(3,4)17/h7-8,10,17H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyYCTIYZOHHFQGET-JTQLQIEISA-N
XLogP1.52
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol (CID 164643095) is 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol is CC(C)C1=NO[C@H](c2ncnn2CC(C)(C)O)C1.
What is the InChIKey of 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol?
The InChIKey is YCTIYZOHHFQGET-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)9-5-10(18-15-9)11-13-7-14-16(11)6-12(3,4)17/h7-8,10,17H,5-6H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol?
2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol has a molecular weight of 252.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-triazol-1-yl]propan-2-ol is sourced from PubChem (CID 164643095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).