N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C18H20F2N4O2 — CID 129007591

IUPACN-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CCCN2CCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H20F2N4O2/c19-13-6-3-11(10-14(13)20)7-9-24-8-1-2-15(24)18-22-16(23-26-18)17(25)21-12-4-5-12/h3,6,10,12,15H,1-2,4-5,7-9H2,(H,21,25)
InChIKeyDJRFVIVYSNBFAX-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.62
Rot. Bonds6

About N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129007591) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129007591
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC NameN-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CCCN2CCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H20F2N4O2/c19-13-6-3-11(10-14(13)20)7-9-24-8-1-2-15(24)18-22-16(23-26-18)17(25)21-12-4-5-12/h3,6,10,12,15H,1-2,4-5,7-9H2,(H,21,25)
InChIKeyDJRFVIVYSNBFAX-UHFFFAOYSA-N
XLogP2.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129007591) is N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc(C2CCCN2CCc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DJRFVIVYSNBFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c19-13-6-3-11(10-14(13)20)7-9-24-8-1-2-15(24)18-22-16(23-26-18)17(25)21-12-4-5-12/h3,6,10,12,15H,1-2,4-5,7-9H2,(H,21,25).
What are the key properties of N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129007591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).