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

C19H24N2O4 — CID 56811981

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone
SMILESCc1noc(C)c1COc1ccc(CC(=O)N2CCOCC2C)cc1
InChIInChI=1S/C19H24N2O4/c1-13-11-23-9-8-21(13)19(22)10-16-4-6-17(7-5-16)24-12-18-14(2)20-25-15(18)3/h4-7,13H,8-12H2,1-3H3
InChIKeyMPIVWELMCQIVQR-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.66
Rot. Bonds5

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

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone (PubChem CID 56811981) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone
PubChem CID56811981
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone
SMILESCc1noc(C)c1COc1ccc(CC(=O)N2CCOCC2C)cc1
InChIInChI=1S/C19H24N2O4/c1-13-11-23-9-8-21(13)19(22)10-16-4-6-17(7-5-16)24-12-18-14(2)20-25-15(18)3/h4-7,13H,8-12H2,1-3H3
InChIKeyMPIVWELMCQIVQR-UHFFFAOYSA-N
XLogP2.66
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone with MolForge

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Related Compounds

(2S)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-2-carboxylic acid
CID 129398255
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 119259954
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260314
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
(3R)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide
CID 9292651
(3R,4R)-4-cyclopropyl-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978048
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771162
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride
CID 120807002
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 43057556
N-(2,3-dimethylcyclohexyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 46539815
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 112806366

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone (CID 56811981) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone is Cc1noc(C)c1COc1ccc(CC(=O)N2CCOCC2C)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone?
The InChIKey is MPIVWELMCQIVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-11-23-9-8-21(13)19(22)10-16-4-6-17(7-5-16)24-12-18-14(2)20-25-15(18)3/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone has a molecular weight of 344.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 56811981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).