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

C17H27N5O3 — CID 91908872

IUPAC2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1
InChIInChI=1S/C17H27N5O3/c1-11(2)19-17(24)22-9-3-4-13(22)16-20-15(25-21-16)8-7-14(23)18-10-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyXVZOBXJQMNAVIA-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.78
Rot. Bonds7

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

2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 91908872) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID91908872
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1
InChIInChI=1S/C17H27N5O3/c1-11(2)19-17(24)22-9-3-4-13(22)16-20-15(25-21-16)8-7-14(23)18-10-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyXVZOBXJQMNAVIA-UHFFFAOYSA-N
XLogP1.78
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.78
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-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 91908872) is 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCCC1c1noc(CCC(=O)NCC2CC2)n1.
What is the InChIKey of 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is XVZOBXJQMNAVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11(2)19-17(24)22-9-3-4-13(22)16-20-15(25-21-16)8-7-14(23)18-10-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of 2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
2-[5-[3-(cyclopropylmethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.78, 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-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91908872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).