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

C19H31N5O3 — CID 91908868

IUPAC2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NCC2CCCCC2)n1
InChIInChI=1S/C19H31N5O3/c1-2-20-19(26)24-12-6-9-15(24)18-22-17(27-23-18)11-10-16(25)21-13-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3,(H,20,26)(H,21,25)
InChIKeyAXWFUZJIUWFVQY-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.57
Rot. Bonds7

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

2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 91908868) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
PubChem CID91908868
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NCC2CCCCC2)n1
InChIInChI=1S/C19H31N5O3/c1-2-20-19(26)24-12-6-9-15(24)18-22-17(27-23-18)11-10-16(25)21-13-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3,(H,20,26)(H,21,25)
InChIKeyAXWFUZJIUWFVQY-UHFFFAOYSA-N
XLogP2.57
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide (CID 91908868) is 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1c1noc(CCC(=O)NCC2CCCCC2)n1.
What is the InChIKey of 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is AXWFUZJIUWFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-2-20-19(26)24-12-6-9-15(24)18-22-17(27-23-18)11-10-16(25)21-13-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3,(H,20,26)(H,21,25).
What are the key properties of 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91908868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).