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

C18H24N4O — CID 133483076

IUPAC5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(N3CCCCC(N4CCCC4)C3)no2)cc1
InChIInChI=1S/C18H24N4O/c1-2-8-15(9-3-1)17-19-18(20-23-17)22-13-5-4-10-16(14-22)21-11-6-7-12-21/h1-3,8-9,16H,4-7,10-14H2
InChIKeyUVYCPGZKGUMMSU-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.19
Rot. Bonds3

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

5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole (PubChem CID 133483076) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
PubChem CID133483076
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(N3CCCCC(N4CCCC4)C3)no2)cc1
InChIInChI=1S/C18H24N4O/c1-2-8-15(9-3-1)17-19-18(20-23-17)22-13-5-4-10-16(14-22)21-11-6-7-12-21/h1-3,8-9,16H,4-7,10-14H2
InChIKeyUVYCPGZKGUMMSU-UHFFFAOYSA-N
XLogP3.19
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482995
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548890
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482657
5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 133483568
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
CID 133121479
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70726029
2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
CID 133454441

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole (CID 133483076) is 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole is c1ccc(-c2nc(N3CCCCC(N4CCCC4)C3)no2)cc1.
What is the InChIKey of 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole?
The InChIKey is UVYCPGZKGUMMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-8-15(9-3-1)17-19-18(20-23-17)22-13-5-4-10-16(14-22)21-11-6-7-12-21/h1-3,8-9,16H,4-7,10-14H2.
What are the key properties of 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole?
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole has a molecular weight of 312.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 133483076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).