2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol

C13H16N2O2 — CID 82830538

IUPAC2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1c(O)cccc1-c1nc(CC(C)C)no1
InChIInChI=1S/C13H16N2O2/c1-8(2)7-12-14-13(17-15-12)10-5-4-6-11(16)9(10)3/h4-6,8,16H,7H2,1-3H3
InChIKeySYVZXDCRJANMAH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol

2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 82830538) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID82830538
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1c(O)cccc1-c1nc(CC(C)C)no1
InChIInChI=1S/C13H16N2O2/c1-8(2)7-12-14-13(17-15-12)10-5-4-6-11(16)9(10)3/h4-6,8,16H,7H2,1-3H3
InChIKeySYVZXDCRJANMAH-UHFFFAOYSA-N
XLogP2.95
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82831138
2-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830185
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184
2-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830187
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136964522
2-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831134
2-methyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 103151094
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 82830253
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830916
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol (CID 82830538) is 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1c(O)cccc1-c1nc(CC(C)C)no1.
What is the InChIKey of 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is SYVZXDCRJANMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)7-12-14-13(17-15-12)10-5-4-6-11(16)9(10)3/h4-6,8,16H,7H2,1-3H3.
What are the key properties of 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 82830538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).