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

C16H25N5O3 — CID 91908864

IUPAC2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1
InChIInChI=1S/C16H25N5O3/c1-2-17-16(23)21-9-3-4-12(21)15-19-14(24-20-15)8-7-13(22)18-10-11-5-6-11/h11-12H,2-10H2,1H3,(H,17,23)(H,18,22)
InChIKeyUCUYYNNSCFPENI-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.39
Rot. Bonds7

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

2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 91908864) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
PubChem CID91908864
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1
InChIInChI=1S/C16H25N5O3/c1-2-17-16(23)21-9-3-4-12(21)15-19-14(24-20-15)8-7-13(22)18-10-11-5-6-11/h11-12H,2-10H2,1H3,(H,17,23)(H,18,22)
InChIKeyUCUYYNNSCFPENI-UHFFFAOYSA-N
XLogP1.39
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide (CID 91908864) is 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1.
What is the InChIKey of 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is UCUYYNNSCFPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-2-17-16(23)21-9-3-4-12(21)15-19-14(24-20-15)8-7-13(22)18-10-11-5-6-11/h11-12H,2-10H2,1H3,(H,17,23)(H,18,22).
What are the key properties of 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide?
2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91908864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).