2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid

C15H18N2O3S — CID 79611090

IUPAC2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C15H18N2O3S/c18-15(19)8-11-3-5-17(6-4-11)10-12-9-13(20-16-12)14-2-1-7-21-14/h1-2,7,9,11H,3-6,8,10H2,(H,18,19)
InChIKeyFCMYARRWNGPGJQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.09
Rot. Bonds5

About 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid

2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 79611090) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID79611090
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C15H18N2O3S/c18-15(19)8-11-3-5-17(6-4-11)10-12-9-13(20-16-12)14-2-1-7-21-14/h1-2,7,9,11H,3-6,8,10H2,(H,18,19)
InChIKeyFCMYARRWNGPGJQ-UHFFFAOYSA-N
XLogP3.09
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906
phenyl-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 8597017
N-(cyclopropylmethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926344
N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921861
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
CID 63092006
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azepane-2-carboxylic acid
CID 64564317
N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 119916720
(2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 167967948
1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
CID 17407840
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8599611
(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 94530936
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid (CID 79611090) is 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(Cc2cc(-c3cccs3)on2)CC1.
What is the InChIKey of 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is FCMYARRWNGPGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-15(19)8-11-3-5-17(6-4-11)10-12-9-13(20-16-12)14-2-1-7-21-14/h1-2,7,9,11H,3-6,8,10H2,(H,18,19).
What are the key properties of 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 306.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79611090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).