5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C16H19N3O4 — CID 39514484

IUPAC5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H19N3O4/c20-15-6-2-1-3-8-19(15)9-7-17-16(21)12-11-14(23-18-12)13-5-4-10-22-13/h4-5,10-11H,1-3,6-9H2,(H,17,21)
InChIKeyHMCWFRROSBWIPT-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.07
Rot. Bonds5

About 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 39514484) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID39514484
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H19N3O4/c20-15-6-2-1-3-8-19(15)9-7-17-16(21)12-11-14(23-18-12)13-5-4-10-22-13/h4-5,10-11H,1-3,6-9H2,(H,17,21)
InChIKeyHMCWFRROSBWIPT-UHFFFAOYSA-N
XLogP2.07
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
CID 39515438
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 39513622
5-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24739766
5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 51055335
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 90541394
6-amino-N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 91789503
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 39514484) is 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCN1CCCCCC1=O)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HMCWFRROSBWIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-15-6-2-1-3-8-19(15)9-7-17-16(21)12-11-14(23-18-12)13-5-4-10-22-13/h4-5,10-11H,1-3,6-9H2,(H,17,21).
What are the key properties of 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39514484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).