3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol

C12H15N3O2 — CID 82831138

IUPAC3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1c(O)cccc1-c1nc(CN(C)C)no1
InChIInChI=1S/C12H15N3O2/c1-8-9(5-4-6-10(8)16)12-13-11(14-17-12)7-15(2)3/h4-6,16H,7H2,1-3H3
InChIKeyVESYSTDVIHOBER-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds3

About 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol

3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 82831138) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID82831138
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1c(O)cccc1-c1nc(CN(C)C)no1
InChIInChI=1S/C12H15N3O2/c1-8-9(5-4-6-10(8)16)12-13-11(14-17-12)7-15(2)3/h4-6,16H,7H2,1-3H3
InChIKeyVESYSTDVIHOBER-UHFFFAOYSA-N
XLogP1.81
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712755
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830538
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
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604
4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503397
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
N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 104559134
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830916

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 82831138) is 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol is Cc1c(O)cccc1-c1nc(CN(C)C)no1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is VESYSTDVIHOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-9(5-4-6-10(8)16)12-13-11(14-17-12)7-15(2)3/h4-6,16H,7H2,1-3H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 233.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 82831138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).