[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate

C21H27ClN2O4 — CID 78846669

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC(C)CN1CCOC(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C21H27ClN2O4/c1-15(2)12-24-9-10-26-16(13-24)14-27-21(25)8-7-20-23-11-19(28-20)17-5-3-4-6-18(17)22/h3-6,11,15-16H,7-10,12-14H2,1-2H3
InChIKeyHJLPUXBAJSUOEA-UHFFFAOYSA-N
MW406.91 g/mol
LogP3.83
Rot. Bonds8

About [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 78846669) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID78846669
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC(C)CN1CCOC(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C21H27ClN2O4/c1-15(2)12-24-9-10-26-16(13-24)14-27-21(25)8-7-20-23-11-19(28-20)17-5-3-4-6-18(17)22/h3-6,11,15-16H,7-10,12-14H2,1-2H3
InChIKeyHJLPUXBAJSUOEA-UHFFFAOYSA-N
XLogP3.83
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
CID 78831866
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
CID 78831870
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119434830
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119466551
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate
CID 86826446
[4-(2-methylpropyl)morpholin-2-yl]methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846665
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 95782150
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119543119
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 43067351
(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55479477
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 16596687
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate (CID 78846669) is [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate is CC(C)CN1CCOC(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)C1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is HJLPUXBAJSUOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-15(2)12-24-9-10-26-16(13-24)14-27-21(25)8-7-20-23-11-19(28-20)17-5-3-4-6-18(17)22/h3-6,11,15-16H,7-10,12-14H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 406.91 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 78846669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).