[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone

C16H18N2O3 — CID 5308525

IUPAC[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCCC2)no1
InChIInChI=1S/C16H18N2O3/c1-20-14-8-4-3-7-12(14)15-11-13(17-21-15)16(19)18-9-5-2-6-10-18/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyBXFYHKIKABSLND-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.98
Rot. Bonds3

About [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone

[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 5308525) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
PubChem CID5308525
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCCC2)no1
InChIInChI=1S/C16H18N2O3/c1-20-14-8-4-3-7-12(14)15-11-13(17-21-15)16(19)18-9-5-2-6-10-18/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyBXFYHKIKABSLND-UHFFFAOYSA-N
XLogP2.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone (CID 5308525) is [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone is COc1ccccc1-c1cc(C(=O)N2CCCCC2)no1.
What is the InChIKey of [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is BXFYHKIKABSLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-8-4-3-7-12(14)15-11-13(17-21-15)16(19)18-9-5-2-6-10-18/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 286.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 5308525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).