2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide

C17H27N5O3 — CID 91919335

IUPAC2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NC2CCCC2)n1
InChIInChI=1S/C17H27N5O3/c1-2-18-17(24)22-11-5-8-13(22)16-20-15(25-21-16)10-9-14(23)19-12-6-3-4-7-12/h12-13H,2-11H2,1H3,(H,18,24)(H,19,23)
InChIKeySVKZQECOILATHJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.93
Rot. Bonds6

About 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide

2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 91919335) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
PubChem CID91919335
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NC2CCCC2)n1
InChIInChI=1S/C17H27N5O3/c1-2-18-17(24)22-11-5-8-13(22)16-20-15(25-21-16)10-9-14(23)19-12-6-3-4-7-12/h12-13H,2-11H2,1H3,(H,18,24)(H,19,23)
InChIKeySVKZQECOILATHJ-UHFFFAOYSA-N
XLogP1.93
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide (CID 91919335) is 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1c1noc(CCC(=O)NC2CCCC2)n1.
What is the InChIKey of 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is SVKZQECOILATHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-2-18-17(24)22-11-5-8-13(22)16-20-15(25-21-16)10-9-14(23)19-12-6-3-4-7-12/h12-13H,2-11H2,1H3,(H,18,24)(H,19,23).
What are the key properties of 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(cyclopentylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91919335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).