5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C17H17N5O3 — CID 128999927

IUPAC5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2Cc2cc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C17H17N5O3/c18-14(23)15-20-17(25-21-15)13-6-3-7-22(13)9-11-8-10-4-1-2-5-12(10)19-16(11)24/h1-2,4-5,8,13H,3,6-7,9H2,(H2,18,23)(H,19,24)
InChIKeyYUDAWTPZFURUIF-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.35
Rot. Bonds4

About 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 128999927) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID128999927
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2Cc2cc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C17H17N5O3/c18-14(23)15-20-17(25-21-15)13-6-3-7-22(13)9-11-8-10-4-1-2-5-12(10)19-16(11)24/h1-2,4-5,8,13H,3,6-7,9H2,(H2,18,23)(H,19,24)
InChIKeyYUDAWTPZFURUIF-UHFFFAOYSA-N
XLogP1.35
TPSA118.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 128999927) is 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2CCCN2Cc2cc3ccccc3[nH]c2=O)n1.
What is the InChIKey of 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YUDAWTPZFURUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-14(23)15-20-17(25-21-15)13-6-3-7-22(13)9-11-8-10-4-1-2-5-12(10)19-16(11)24/h1-2,4-5,8,13H,3,6-7,9H2,(H2,18,23)(H,19,24).
What are the key properties of 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 128999927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).