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

C14H14N4O2 — CID 154735688

IUPAC2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ncn(Cc2noc(-c3ccccc3O)n2)c1C
InChIInChI=1S/C14H14N4O2/c1-9-10(2)18(8-15-9)7-13-16-14(20-17-13)11-5-3-4-6-12(11)19/h3-6,8,19H,7H2,1-2H3
InChIKeyANSZQRHZRZQYNT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.30
Rot. Bonds3

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

2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 154735688) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID154735688
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ncn(Cc2noc(-c3ccccc3O)n2)c1C
InChIInChI=1S/C14H14N4O2/c1-9-10(2)18(8-15-9)7-13-16-14(20-17-13)11-5-3-4-6-12(11)19/h3-6,8,19H,7H2,1-2H3
InChIKeyANSZQRHZRZQYNT-UHFFFAOYSA-N
XLogP2.30
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 115624837
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 870621
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53015258
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136964522
7-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 31529868
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
CID 30029760
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82831138
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830538

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 154735688) is 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol is Cc1ncn(Cc2noc(-c3ccccc3O)n2)c1C.
What is the InChIKey of 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ANSZQRHZRZQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-10(2)18(8-15-9)7-13-16-14(20-17-13)11-5-3-4-6-12(11)19/h3-6,8,19H,7H2,1-2H3.
What are the key properties of 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 270.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 154735688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).