[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone

C18H22N2O3 — CID 112788083

IUPAC[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
SMILESCc1noc(C)c1COc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H22N2O3/c1-13-16(14(2)23-19-13)12-22-17-9-5-4-8-15(17)18(21)20-10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyJJJNDBUQOSMYRR-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.50
Rot. Bonds4

About [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone (PubChem CID 112788083) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
PubChem CID112788083
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
SMILESCc1noc(C)c1COc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H22N2O3/c1-13-16(14(2)23-19-13)12-22-17-9-5-4-8-15(17)18(21)20-10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyJJJNDBUQOSMYRR-UHFFFAOYSA-N
XLogP3.50
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55467016
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119355381
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763013
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487770
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 30471712
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447549
(3R)-1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129415120
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 138603689
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275053
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 25163427
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438372
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30548406

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone (CID 112788083) is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone is Cc1noc(C)c1COc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone?
The InChIKey is JJJNDBUQOSMYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-16(14(2)23-19-13)12-22-17-9-5-4-8-15(17)18(21)20-10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone?
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone has a molecular weight of 314.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 112788083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).