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

C14H18N2O2S — CID 60684977

IUPAC[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C14H18N2O2S/c17-10-12-4-1-2-6-16(12)9-11-8-13(18-15-11)14-5-3-7-19-14/h3,5,7-8,12,17H,1-2,4,6,9-10H2
InChIKeyRGNRCTAMDRTCMR-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.75
Rot. Bonds4

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

[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol (PubChem CID 60684977) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol
PubChem CID60684977
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C14H18N2O2S/c17-10-12-4-1-2-6-16(12)9-11-8-13(18-15-11)14-5-3-7-19-14/h3,5,7-8,12,17H,1-2,4,6,9-10H2
InChIKeyRGNRCTAMDRTCMR-UHFFFAOYSA-N
XLogP2.75
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol (CID 60684977) is [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1cc(-c2cccs2)on1.
What is the InChIKey of [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is RGNRCTAMDRTCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-10-12-4-1-2-6-16(12)9-11-8-13(18-15-11)14-5-3-7-19-14/h3,5,7-8,12,17H,1-2,4,6,9-10H2.
What are the key properties of [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol?
[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 278.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 60684977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).