1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

C13H16N2O2 — CID 63349292

IUPAC1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1ccccc1Cc1noc(CC(C)O)n1
InChIInChI=1S/C13H16N2O2/c1-9-5-3-4-6-11(9)8-12-14-13(17-15-12)7-10(2)16/h3-6,10,16H,7-8H2,1-2H3
InChIKeyHWKDQLNWOIRKEO-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.89
Rot. Bonds4

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

1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 63349292) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID63349292
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1ccccc1Cc1noc(CC(C)O)n1
InChIInChI=1S/C13H16N2O2/c1-9-5-3-4-6-11(9)8-12-14-13(17-15-12)7-10(2)16/h3-6,10,16H,7-8H2,1-2H3
InChIKeyHWKDQLNWOIRKEO-UHFFFAOYSA-N
XLogP1.89
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349339
1-methoxy-N-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350699
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344884
3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524317
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
methyl (2R)-2-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoate
CID 96563554
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 62596855
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110020364
(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898615
3-ethyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91906883
2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol
CID 111911908

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 63349292) is 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is Cc1ccccc1Cc1noc(CC(C)O)n1.
What is the InChIKey of 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is HWKDQLNWOIRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-5-3-4-6-11(9)8-12-14-13(17-15-12)7-10(2)16/h3-6,10,16H,7-8H2,1-2H3.
What are the key properties of 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 232.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 63349292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).