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

C16H22N2O2S — CID 29211986

IUPAC2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
SMILESCc1oc(-c2ccsc2)nc1CN1CCCC[C@@H]1CCO
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/t14-/m1/s1
InChIKeyBTXKGYDITJQTDY-CQSZACIVSA-N
MW306.43 g/mol
LogP3.45
Rot. Bonds5

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

2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 29211986) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
PubChem CID29211986
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
SMILESCc1oc(-c2ccsc2)nc1CN1CCCC[C@@H]1CCO
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/t14-/m1/s1
InChIKeyBTXKGYDITJQTDY-CQSZACIVSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol (CID 29211986) is 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol is Cc1oc(-c2ccsc2)nc1CN1CCCC[C@@H]1CCO.
What is the InChIKey of 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is BTXKGYDITJQTDY-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol?
2-[(2R)-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-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 29211986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).