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

C16H22N2O2S — CID 45200824

IUPAC2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
SMILESCc1oc(-c2ccsc2)nc1CN1CCCCC1CCO
InChIInChI=1S/C16H22N2O2S/c1-12-15(17-16(20-12)13-6-9-21-11-13)10-18-7-3-2-4-14(18)5-8-19/h6,9,11,14,19H,2-5,7-8,10H2,1H3
InChIKeyBTXKGYDITJQTDY-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.45
Rot. Bonds5

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

2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 45200824) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
PubChem CID45200824
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
SMILESCc1oc(-c2ccsc2)nc1CN1CCCCC1CCO
InChIInChI=1S/C16H22N2O2S/c1-12-15(17-16(20-12)13-6-9-21-11-13)10-18-7-3-2-4-14(18)5-8-19/h6,9,11,14,19H,2-5,7-8,10H2,1H3
InChIKeyBTXKGYDITJQTDY-UHFFFAOYSA-N
XLogP3.45
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
2-(4-chlorophenyl)-4-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25295435
1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 26319404
[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62014930
4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 42287451
[(2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 78916202
1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25293471
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119650306
2-(furan-3-yl)-5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45194451
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 45214821

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol (CID 45200824) is 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol is Cc1oc(-c2ccsc2)nc1CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is BTXKGYDITJQTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-15(17-16(20-12)13-6-9-21-11-13)10-18-7-3-2-4-14(18)5-8-19/h6,9,11,14,19H,2-5,7-8,10H2,1H3.
What are the key properties of 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol?
2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 306.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 45200824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).