5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide

C17H17N5O2 — CID 168909150

IUPAC5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1ccc(C2CC2)c(-c2nnc(C(=O)NC3CCNC3)o2)c1
InChIInChI=1S/C17H17N5O2/c18-8-10-1-4-13(11-2-3-11)14(7-10)16-21-22-17(24-16)15(23)20-12-5-6-19-9-12/h1,4,7,11-12,19H,2-3,5-6,9H2,(H,20,23)
InChIKeyVEONLZNURJCURG-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.58
Rot. Bonds4

About 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide

5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 168909150) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID168909150
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1ccc(C2CC2)c(-c2nnc(C(=O)NC3CCNC3)o2)c1
InChIInChI=1S/C17H17N5O2/c18-8-10-1-4-13(11-2-3-11)14(7-10)16-21-22-17(24-16)15(23)20-12-5-6-19-9-12/h1,4,7,11-12,19H,2-3,5-6,9H2,(H,20,23)
InChIKeyVEONLZNURJCURG-UHFFFAOYSA-N
XLogP1.58
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide (CID 168909150) is 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide is N#Cc1ccc(C2CC2)c(-c2nnc(C(=O)NC3CCNC3)o2)c1.
What is the InChIKey of 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is VEONLZNURJCURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-8-10-1-4-13(11-2-3-11)14(7-10)16-21-22-17(24-16)15(23)20-12-5-6-19-9-12/h1,4,7,11-12,19H,2-3,5-6,9H2,(H,20,23).
What are the key properties of 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 168909150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).