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

C17H29N5O3 — CID 91919341

IUPAC2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)CCc1nc(C2CCCN2C(=O)NC(C)C)no1
InChIInChI=1S/C17H29N5O3/c1-11(2)10-18-14(23)7-8-15-20-16(21-25-15)13-6-5-9-22(13)17(24)19-12(3)4/h11-13H,5-10H2,1-4H3,(H,18,23)(H,19,24)
InChIKeyUHBBAHDIWIBNKO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.03
Rot. Bonds7

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

2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 91919341) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID91919341
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)CCc1nc(C2CCCN2C(=O)NC(C)C)no1
InChIInChI=1S/C17H29N5O3/c1-11(2)10-18-14(23)7-8-15-20-16(21-25-15)13-6-5-9-22(13)17(24)19-12(3)4/h11-13H,5-10H2,1-4H3,(H,18,23)(H,19,24)
InChIKeyUHBBAHDIWIBNKO-UHFFFAOYSA-N
XLogP2.03
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 91919341) is 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)CNC(=O)CCc1nc(C2CCCN2C(=O)NC(C)C)no1.
What is the InChIKey of 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is UHBBAHDIWIBNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-11(2)10-18-14(23)7-8-15-20-16(21-25-15)13-6-5-9-22(13)17(24)19-12(3)4/h11-13H,5-10H2,1-4H3,(H,18,23)(H,19,24).
What are the key properties of 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2-methylpropylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91919341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).