(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide

C17H28N4O3 — CID 95130069

IUPAC(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)no1
InChIInChI=1S/C17H28N4O3/c1-6-7-13-18-16(20-24-13)17(4,5)19-15(23)12-8-14(22)21(10-12)9-11(2)3/h11-12H,6-10H2,1-5H3,(H,19,23)/t12-/m0/s1
InChIKeyQYEHVXSVVGOULK-LBPRGKRZSA-N
MW336.44 g/mol
LogP1.88
Rot. Bonds7

About (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide

(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 95130069) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID95130069
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)no1
InChIInChI=1S/C17H28N4O3/c1-6-7-13-18-16(20-24-13)17(4,5)19-15(23)12-8-14(22)21(10-12)9-11(2)3/h11-12H,6-10H2,1-5H3,(H,19,23)/t12-/m0/s1
InChIKeyQYEHVXSVVGOULK-LBPRGKRZSA-N
XLogP1.88
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide (CID 95130069) is (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide is CCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)no1.
What is the InChIKey of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is QYEHVXSVVGOULK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-6-7-13-18-16(20-24-13)17(4,5)19-15(23)12-8-14(22)21(10-12)9-11(2)3/h11-12H,6-10H2,1-5H3,(H,19,23)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95130069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).