4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole

C15H18N2O2 — CID 115003500

IUPAC4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2C2CCCNC2)cc1
InChIInChI=1S/C15H18N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-19-15(14)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKeyBAJNVUBUTFDUQH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.82
Rot. Bonds3

About 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole

4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole (PubChem CID 115003500) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
PubChem CID115003500
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2C2CCCNC2)cc1
InChIInChI=1S/C15H18N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-19-15(14)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKeyBAJNVUBUTFDUQH-UHFFFAOYSA-N
XLogP2.82
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744
4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003871
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
CID 110246159
3-(4-methoxyphenyl)piperidine
CID 12937920
3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 95857102
4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054009
2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
CID 118741830
4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol
CID 115053947
5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026122
3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 95733041

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole (CID 115003500) is 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole is COc1ccc(-c2cnoc2C2CCCNC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole?
The InChIKey is BAJNVUBUTFDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-19-15(14)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole?
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole has a molecular weight of 258.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole is sourced from PubChem (CID 115003500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).