N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

About N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129344366) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name	N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID	129344366
Molecular Formula	C16H22N6O4
Molecular Weight	362.39 g/mol
Exact Mass	362.17
IUPAC Name	N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILES	O=C(NC1CC1)c1noc([C@@H]2CCCN2CCCN2C(=O)CNC2=O)n1
InChI	InChI=1S/C16H22N6O4/c23-12-9-17-16(25)22(12)8-2-7-21-6-1-3-11(21)15-19-13(20-26-15)14(24)18-10-4-5-10/h10-11H,1-9H2,(H,17,25)(H,18,24)/t11-/m0/s1
InChIKey	ZFNVXDLJKIXSAY-NSHDSACASA-N
XLogP	0.04
TPSA	120.67 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129344366) is N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc([C@@H]2CCCN2CCCN2C(=O)CNC2=O)n1.

What is the InChIKey of N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is ZFNVXDLJKIXSAY-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N6O4/c23-12-9-17-16(25)22(12)8-2-7-21-6-1-3-11(21)15-19-13(20-26-15)14(24)18-10-4-5-10/h10-11H,1-9H2,(H,17,25)(H,18,24)/t11-/m0/s1.

What are the key properties of N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129344366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).