N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide

C18H22N4O2 — CID 53159437

IUPACN-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NC(Cc1ccccc1)c1nnc(N2CCCC2)o1)C1CC1
InChIInChI=1S/C18H22N4O2/c23-16(14-8-9-14)19-15(12-13-6-2-1-3-7-13)17-20-21-18(24-17)22-10-4-5-11-22/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,23)
InChIKeyUZJIVBBWUBFJKS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.48
Rot. Bonds6

About N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide

N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 53159437) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID53159437
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NC(Cc1ccccc1)c1nnc(N2CCCC2)o1)C1CC1
InChIInChI=1S/C18H22N4O2/c23-16(14-8-9-14)19-15(12-13-6-2-1-3-7-13)17-20-21-18(24-17)22-10-4-5-11-22/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,23)
InChIKeyUZJIVBBWUBFJKS-UHFFFAOYSA-N
XLogP2.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide (CID 53159437) is N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide is O=C(NC(Cc1ccccc1)c1nnc(N2CCCC2)o1)C1CC1.
What is the InChIKey of N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is UZJIVBBWUBFJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-16(14-8-9-14)19-15(12-13-6-2-1-3-7-13)17-20-21-18(24-17)22-10-4-5-11-22/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,23).
What are the key properties of N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 53159437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).