[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C18H22N2O4 — CID 70749855

IUPAC[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(OCC2CCCN(C(=O)c3cnoc3C)C2)cc1
InChIInChI=1S/C18H22N2O4/c1-13-17(10-19-24-13)18(21)20-9-3-4-14(11-20)12-23-16-7-5-15(22-2)6-8-16/h5-8,10,14H,3-4,9,11-12H2,1-2H3
InChIKeyQLOAIJRBFCEHMS-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.92
Rot. Bonds5

About [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 70749855) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID70749855
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(OCC2CCCN(C(=O)c3cnoc3C)C2)cc1
InChIInChI=1S/C18H22N2O4/c1-13-17(10-19-24-13)18(21)20-9-3-4-14(11-20)12-23-16-7-5-15(22-2)6-8-16/h5-8,10,14H,3-4,9,11-12H2,1-2H3
InChIKeyQLOAIJRBFCEHMS-UHFFFAOYSA-N
XLogP2.92
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241557
2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118787801
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70777552
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70741775
5-[(3S)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95867474
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508
N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 53150228
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 70749855) is [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is COc1ccc(OCC2CCCN(C(=O)c3cnoc3C)C2)cc1.
What is the InChIKey of [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is QLOAIJRBFCEHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-17(10-19-24-13)18(21)20-9-3-4-14(11-20)12-23-16-7-5-15(22-2)6-8-16/h5-8,10,14H,3-4,9,11-12H2,1-2H3.
What are the key properties of [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 330.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 70749855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).