3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole

C14H17N3O — CID 154128947

IUPAC3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CCN3CCCC3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-2-6-12(7-3-1)14-15-13(18-16-14)8-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-11H2
InChIKeyZCWUOTWIKHHJCB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds4

About 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole

3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 154128947) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID154128947
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CCN3CCCC3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-2-6-12(7-3-1)14-15-13(18-16-14)8-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-11H2
InChIKeyZCWUOTWIKHHJCB-UHFFFAOYSA-N
XLogP2.37
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 119919242
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
CID 119907371
3-phenyl-5-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1,2,4-oxadiazole
CID 52544370
3-[methyl-[1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]amino]propan-1-ol
CID 111448317
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46982575
3-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72841088
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 25222228
N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
CID 86912395
5-[3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 55446107

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole (CID 154128947) is 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole is c1ccc(-c2noc(CCN3CCCC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is ZCWUOTWIKHHJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-6-12(7-3-1)14-15-13(18-16-14)8-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole?
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154128947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).