5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole

C9H10N2O2 — CID 130708265

IUPAC5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccoc2)n1
InChIInChI=1S/C9H10N2O2/c1-2-3-8-10-9(13-11-8)7-4-5-12-6-7/h4-6H,2-3H2,1H3
InChIKeyQRRICBXGNAEULV-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.28
Rot. Bonds3

About 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole

5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole (PubChem CID 130708265) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
PubChem CID130708265
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccoc2)n1
InChIInChI=1S/C9H10N2O2/c1-2-3-8-10-9(13-11-8)7-4-5-12-6-7/h4-6H,2-3H2,1H3
InChIKeyQRRICBXGNAEULV-UHFFFAOYSA-N
XLogP2.28
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile
CID 95911598
5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 91661141
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
CID 30029760
(1R)-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 95277704
3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 72937186
3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole
CID 2739863
5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole
CID 56686520
5-(furan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 28875613
N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline
CID 75378202
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855
2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 100657468

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole (CID 130708265) is 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(-c2ccoc2)n1.
What is the InChIKey of 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is QRRICBXGNAEULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-3-8-10-9(13-11-8)7-4-5-12-6-7/h4-6H,2-3H2,1H3.
What are the key properties of 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole?
5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 178.19 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 130708265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).