1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid

C16H18N2O4S — CID 119166403

IUPAC1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1oc(-c2ccsc2)nc1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H18N2O4S/c1-10-13(17-15(22-10)12-4-7-23-9-12)8-14(19)18-5-2-11(3-6-18)16(20)21/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,20,21)
InChIKeyYISQMMYQENOQRS-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 119166403) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID119166403
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1oc(-c2ccsc2)nc1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H18N2O4S/c1-10-13(17-15(22-10)12-4-7-23-9-12)8-14(19)18-5-2-11(3-6-18)16(20)21/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,20,21)
InChIKeyYISQMMYQENOQRS-UHFFFAOYSA-N
XLogP2.58
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2,4-dimethylpiperazin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone
CID 97066582
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119650306
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 166298149
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 97235423
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
CID 110673679
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-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119824615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid (CID 119166403) is 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid is Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is YISQMMYQENOQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-13(17-15(22-10)12-4-7-23-9-12)8-14(19)18-5-2-11(3-6-18)16(20)21/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,20,21).
What are the key properties of 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).