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

C16H27N5O3 — CID 91908867

IUPACN-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NCC(C)C)n1
InChIInChI=1S/C16H27N5O3/c1-4-17-16(23)21-9-5-6-12(21)15-19-14(24-20-15)8-7-13(22)18-10-11(2)3/h11-12H,4-10H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyHKTYXHXPSPICDB-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.64
Rot. Bonds7

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

N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 91908867) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID91908867
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC NameN-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NCC(C)C)n1
InChIInChI=1S/C16H27N5O3/c1-4-17-16(23)21-9-5-6-12(21)15-19-14(24-20-15)8-7-13(22)18-10-11(2)3/h11-12H,4-10H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyHKTYXHXPSPICDB-UHFFFAOYSA-N
XLogP1.64
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.64
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-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (CID 91908867) is N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1c1noc(CCC(=O)NCC(C)C)n1.
What is the InChIKey of N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is HKTYXHXPSPICDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-4-17-16(23)21-9-5-6-12(21)15-19-14(24-20-15)8-7-13(22)18-10-11(2)3/h11-12H,4-10H2,1-3H3,(H,17,23)(H,18,22).
What are the key properties of N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
N-ethyl-2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.64, 7 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-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91908867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).