pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone

C19H19N3O2S — CID 110219878

IUPACpyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCCCCC1c1cc(-c2cccs2)on1
InChIInChI=1S/C19H19N3O2S/c23-19(14-7-3-4-10-20-14)22-11-5-1-2-8-16(22)15-13-17(24-21-15)18-9-6-12-25-18/h3-4,6-7,9-10,12-13,16H,1-2,5,8,11H2
InChIKeyVHHCAFCNJKGOCF-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.56
Rot. Bonds3

About pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone

pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone (PubChem CID 110219878) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone
PubChem CID110219878
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Namepyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCCCCC1c1cc(-c2cccs2)on1
InChIInChI=1S/C19H19N3O2S/c23-19(14-7-3-4-10-20-14)22-11-5-1-2-8-16(22)15-13-17(24-21-15)18-9-6-12-25-18/h3-4,6-7,9-10,12-13,16H,1-2,5,8,11H2
InChIKeyVHHCAFCNJKGOCF-UHFFFAOYSA-N
XLogP4.56
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]ethanone
CID 110219831
2-[4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methyl]phenoxy]acetic acid
CID 110219909
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-5-thiophen-2-yl-1,2-oxazole
CID 110219903
cyclohexyl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 128950819
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 18133672
1-(2-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906301
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone (CID 110219878) is pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone is O=C(c1ccccn1)N1CCCCCC1c1cc(-c2cccs2)on1.
What is the InChIKey of pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone?
The InChIKey is VHHCAFCNJKGOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-19(14-7-3-4-10-20-14)22-11-5-1-2-8-16(22)15-13-17(24-21-15)18-9-6-12-25-18/h3-4,6-7,9-10,12-13,16H,1-2,5,8,11H2.
What are the key properties of pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone?
pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone has a molecular weight of 353.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 110219878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).