N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H17N3O3S — CID 176776996

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H17N3O3S/c19-14-5-1-7-18(14)8-3-6-16-15(20)11-10-12(21-17-11)13-4-2-9-22-13/h2,4,9-10H,1,3,5-8H2,(H,16,20)
InChIKeyHDHNFCXPCPOGGK-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.15
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 176776996) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID176776996
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H17N3O3S/c19-14-5-1-7-18(14)8-3-6-16-15(20)11-10-12(21-17-11)13-4-2-9-22-13/h2,4,9-10H,1,3,5-8H2,(H,16,20)
InChIKeyHDHNFCXPCPOGGK-UHFFFAOYSA-N
XLogP2.15
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46537541
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 117093615
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
N-[5-(3-methylpiperidin-1-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 163542403
5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 39514484
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 134057102
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 176776996) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCCN1CCCC1=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is HDHNFCXPCPOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-14-5-1-7-18(14)8-3-6-16-15(20)11-10-12(21-17-11)13-4-2-9-22-13/h2,4,9-10H,1,3,5-8H2,(H,16,20).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 176776996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).