N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

C17H29N5O3 — CID 91908866

IUPACN-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NCCC(C)C)n1
InChIInChI=1S/C17H29N5O3/c1-4-18-17(24)22-11-5-6-13(22)16-20-15(25-21-16)8-7-14(23)19-10-9-12(2)3/h12-13H,4-11H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyPEUPAMFIJQAGNM-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.03
Rot. Bonds8

About N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 91908866) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID91908866
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC NameN-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NCCC(C)C)n1
InChIInChI=1S/C17H29N5O3/c1-4-18-17(24)22-11-5-6-13(22)16-20-15(25-21-16)8-7-14(23)19-10-9-12(2)3/h12-13H,4-11H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyPEUPAMFIJQAGNM-UHFFFAOYSA-N
XLogP2.03
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (CID 91908866) is N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1c1noc(CCC(=O)NCCC(C)C)n1.
What is the InChIKey of N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is PEUPAMFIJQAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-4-18-17(24)22-11-5-6-13(22)16-20-15(25-21-16)8-7-14(23)19-10-9-12(2)3/h12-13H,4-11H2,1-3H3,(H,18,24)(H,19,23).
What are the key properties of N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-[3-(3-methylbutylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91908866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).