1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

C25H24N2O4 — CID 3795731

IUPAC1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESC#Cc1cccc(OCC2CN(C(=O)Cc3nc(-c4ccccc4)oc3C)CCO2)c1
InChIInChI=1S/C25H24N2O4/c1-3-19-8-7-11-21(14-19)30-17-22-16-27(12-13-29-22)24(28)15-23-18(2)31-25(26-23)20-9-5-4-6-10-20/h1,4-11,14,22H,12-13,15-17H2,2H3
InChIKeyOUOMPJUFLFQUBA-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.48
Rot. Bonds6

About 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 3795731) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
PubChem CID3795731
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESC#Cc1cccc(OCC2CN(C(=O)Cc3nc(-c4ccccc4)oc3C)CCO2)c1
InChIInChI=1S/C25H24N2O4/c1-3-19-8-7-11-21(14-19)30-17-22-16-27(12-13-29-22)24(28)15-23-18(2)31-25(26-23)20-9-5-4-6-10-20/h1,4-11,14,22H,12-13,15-17H2,2H3
InChIKeyOUOMPJUFLFQUBA-UHFFFAOYSA-N
XLogP3.48
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 3800706
4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one
CID 3817337
1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3758279
1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3750017
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110354510
[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 74227620
2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
CID 3667814
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629799
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 110631395
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 31913134

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (CID 3795731) is 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is C#Cc1cccc(OCC2CN(C(=O)Cc3nc(-c4ccccc4)oc3C)CCO2)c1.
What is the InChIKey of 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is OUOMPJUFLFQUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-3-19-8-7-11-21(14-19)30-17-22-16-27(12-13-29-22)24(28)15-23-18(2)31-25(26-23)20-9-5-4-6-10-20/h1,4-11,14,22H,12-13,15-17H2,2H3.
What are the key properties of 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 416.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 3795731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).