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

C14H15N3O2 — CID 106527254

IUPAC2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
SMILESCCC(OC)c1noc(-c2ccccc2CC#N)n1
InChIInChI=1S/C14H15N3O2/c1-3-12(18-2)13-16-14(19-17-13)11-7-5-4-6-10(11)8-9-15/h4-7,12H,3,8H2,1-2H3
InChIKeyDNGVTFIMEWAYEN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.90
Rot. Bonds5

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

2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile (PubChem CID 106527254) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
PubChem CID106527254
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
SMILESCCC(OC)c1noc(-c2ccccc2CC#N)n1
InChIInChI=1S/C14H15N3O2/c1-3-12(18-2)13-16-14(19-17-13)11-7-5-4-6-10(11)8-9-15/h4-7,12H,3,8H2,1-2H3
InChIKeyDNGVTFIMEWAYEN-UHFFFAOYSA-N
XLogP2.90
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527278
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylethanamine
CID 116701673
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116704768
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136965177
2-[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116702123
6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106527255
3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116701672
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
CID 136983308
2-fluoro-6-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527271
5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole
CID 167773891
2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106524829

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The IUPAC name of 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile (CID 106527254) is 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile is CCC(OC)c1noc(-c2ccccc2CC#N)n1.
What is the InChIKey of 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The InChIKey is DNGVTFIMEWAYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-12(18-2)13-16-14(19-17-13)11-7-5-4-6-10(11)8-9-15/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile is sourced from PubChem (CID 106527254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).