N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

C17H23N3O2S — CID 166298149

IUPACN-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)NC1CCCN(C)CC1
InChIInChI=1S/C17H23N3O2S/c1-12-15(19-17(22-12)13-6-9-23-11-13)10-16(21)18-14-4-3-7-20(2)8-5-14/h6,9,11,14H,3-5,7-8,10H2,1-2H3,(H,18,21)
InChIKeyJTJHSDYJQWHHMG-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.85
Rot. Bonds4

About N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 166298149) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
PubChem CID166298149
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)NC1CCCN(C)CC1
InChIInChI=1S/C17H23N3O2S/c1-12-15(19-17(22-12)13-6-9-23-11-13)10-16(21)18-14-4-3-7-20(2)8-5-14/h6,9,11,14H,3-5,7-8,10H2,1-2H3,(H,18,21)
InChIKeyJTJHSDYJQWHHMG-UHFFFAOYSA-N
XLogP2.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119650306
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 97235423
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone
CID 97066582
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942
4-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 100640260
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535706
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 120998250
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32529829
2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid
CID 119201879
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (CID 166298149) is N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccsc2)nc1CC(=O)NC1CCCN(C)CC1.
What is the InChIKey of N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is JTJHSDYJQWHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-15(19-17(22-12)13-6-9-23-11-13)10-16(21)18-14-4-3-7-20(2)8-5-14/h6,9,11,14H,3-5,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 166298149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).