methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate

C19H24N2O5 — CID 51110901

IUPACmethyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCc1c(C)noc1C)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O5/c1-12-16(13(2)26-21-12)9-10-18(22)20-17(11-19(23)25-4)14-5-7-15(24-3)8-6-14/h5-8,17H,9-11H2,1-4H3,(H,20,22)
InChIKeyWXHAXJIIDOSDDO-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.65
Rot. Bonds8

About methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate

methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate (PubChem CID 51110901) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
PubChem CID51110901
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namemethyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCc1c(C)noc1C)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O5/c1-12-16(13(2)26-21-12)9-10-18(22)20-17(11-19(23)25-4)14-5-7-15(24-3)8-6-14/h5-8,17H,9-11H2,1-4H3,(H,20,22)
InChIKeyWXHAXJIIDOSDDO-UHFFFAOYSA-N
XLogP2.65
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 18166430
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43027694
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40812290
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31703237
methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate
CID 97185103
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide
CID 46959036
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 47862506
methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate
CID 55914760
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 134056414
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate (CID 51110901) is methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate is COC(=O)CC(NC(=O)CCc1c(C)noc1C)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is WXHAXJIIDOSDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-16(13(2)26-21-12)9-10-18(22)20-17(11-19(23)25-4)14-5-7-15(24-3)8-6-14/h5-8,17H,9-11H2,1-4H3,(H,20,22).
What are the key properties of methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate?
methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 360.41 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 51110901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).