1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

C18H22N2O3 — CID 56811973

IUPAC1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCOCC3C)o2)cc1
InChIInChI=1S/C18H22N2O3/c1-13-3-5-15(6-4-13)16-11-19-17(23-16)7-8-18(21)20-9-10-22-12-14(20)2/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyLPJSFDPAYSTODO-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.83
Rot. Bonds4

About 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 56811973) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID56811973
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCOCC3C)o2)cc1
InChIInChI=1S/C18H22N2O3/c1-13-3-5-15(6-4-13)16-11-19-17(23-16)7-8-18(21)20-9-10-22-12-14(20)2/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyLPJSFDPAYSTODO-UHFFFAOYSA-N
XLogP2.83
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119630842
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
CID 56800394
1-(2-benzylpyrrolidin-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 24688231
(2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 97251422
1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 96535302
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one
CID 56811975
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 51304858
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one (CID 56811973) is 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one is Cc1ccc(-c2cnc(CCC(=O)N3CCOCC3C)o2)cc1.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is LPJSFDPAYSTODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-3-5-15(6-4-13)16-11-19-17(23-16)7-8-18(21)20-9-10-22-12-14(20)2/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 314.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 56811973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).