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

C12H14N2O3 — CID 136964522

IUPAC2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(C)Cc1noc(-c2ccccc2O)n1
InChIInChI=1S/C12H14N2O3/c1-8(16-2)7-11-13-12(17-14-11)9-5-3-4-6-10(9)15/h3-6,8,15H,7H2,1-2H3
InChIKeyQVBSGTPUAWMPRN-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.02
Rot. Bonds4

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

2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136964522) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136964522
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(C)Cc1noc(-c2ccccc2O)n1
InChIInChI=1S/C12H14N2O3/c1-8(16-2)7-11-13-12(17-14-11)9-5-3-4-6-10(9)15/h3-6,8,15H,7H2,1-2H3
InChIKeyQVBSGTPUAWMPRN-UHFFFAOYSA-N
XLogP2.02
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol
CID 136852131
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 870621
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830538
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965239
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079297
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
2-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 113391089
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136964522) is 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol is COC(C)Cc1noc(-c2ccccc2O)n1.
What is the InChIKey of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QVBSGTPUAWMPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(16-2)7-11-13-12(17-14-11)9-5-3-4-6-10(9)15/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol?
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 234.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136964522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).