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

C8H5N3O2 — CID 95911598

IUPAC2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile
SMILESN#CCc1noc(-c2ccoc2)n1
InChIInChI=1S/C8H5N3O2/c9-3-1-7-10-8(13-11-7)6-2-4-12-5-6/h2,4-5H,1H2
InChIKeyCCMMQWPPGCAASQ-UHFFFAOYSA-N
MW175.15 g/mol
LogP1.40
Rot. Bonds2

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

2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile (PubChem CID 95911598) has the molecular formula C8H5N3O2 and a molecular weight of 175.15 g/mol. Its IUPAC name is 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile
PubChem CID95911598
Molecular FormulaC8H5N3O2
Molecular Weight175.15 g/mol
Exact Mass175.04
IUPAC Name2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile
SMILESN#CCc1noc(-c2ccoc2)n1
InChIInChI=1S/C8H5N3O2/c9-3-1-7-10-8(13-11-7)6-2-4-12-5-6/h2,4-5H,1H2
InChIKeyCCMMQWPPGCAASQ-UHFFFAOYSA-N
XLogP1.40
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
CID 130708265
5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 91661141
3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole
CID 2739863
5-(furan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 28875613
(1R)-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 95277704
2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 100657468
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol
CID 111111627
[4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 75463056
5-chloro-2-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-7-methyl-1,3-benzoxazole
CID 86964814
N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline
CID 75378202
5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106525170

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile?
The IUPAC name of 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile (CID 95911598) is 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile is N#CCc1noc(-c2ccoc2)n1.
What is the InChIKey of 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile?
The InChIKey is CCMMQWPPGCAASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2/c9-3-1-7-10-8(13-11-7)6-2-4-12-5-6/h2,4-5H,1H2.
What are the key properties of 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile?
2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile has a molecular weight of 175.15 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile is sourced from PubChem (CID 95911598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).