2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol

C15H18N2O2 — CID 115053966

IUPAC2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
SMILESOc1ccccc1-c1cnoc1CC1CCCCN1
InChIInChI=1S/C15H18N2O2/c18-14-7-2-1-6-12(14)13-10-17-19-15(13)9-11-5-3-4-8-16-11/h1-2,6-7,10-11,16,18H,3-5,8-9H2
InChIKeyNQSQMISMUIQOAA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds3

About 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol

2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol (PubChem CID 115053966) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
PubChem CID115053966
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
SMILESOc1ccccc1-c1cnoc1CC1CCCCN1
InChIInChI=1S/C15H18N2O2/c18-14-7-2-1-6-12(14)13-10-17-19-15(13)9-11-5-3-4-8-16-11/h1-2,6-7,10-11,16,18H,3-5,8-9H2
InChIKeyNQSQMISMUIQOAA-UHFFFAOYSA-N
XLogP2.73
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954
4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115033595
4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054009
[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
CID 115093549
4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054022
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
CID 84695678
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
5-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308308
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
2-(3H-inden-1-ylmethyl)piperidine
CID 123203843
3-naphthalen-1-yl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 62716048

Frequently Asked Questions

What is the IUPAC name of 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol?
The IUPAC name of 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol (CID 115053966) is 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol.
What is the SMILES notation for 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol?
The canonical SMILES for 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol is Oc1ccccc1-c1cnoc1CC1CCCCN1.
What is the InChIKey of 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol?
The InChIKey is NQSQMISMUIQOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-7-2-1-6-12(14)13-10-17-19-15(13)9-11-5-3-4-8-16-11/h1-2,6-7,10-11,16,18H,3-5,8-9H2.
What are the key properties of 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol?
2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol is sourced from PubChem (CID 115053966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).