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

C18H22N2O4 — CID 51072879

IUPACmethyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)9-10-17(21)19-16(18(22)23-3)11-14-7-5-4-6-8-14/h4-8,16H,9-11H2,1-3H3,(H,19,21)
InChIKeyISCZQLUQGSFFFO-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.12
Rot. Bonds7

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

methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate (PubChem CID 51072879) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
PubChem CID51072879
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namemethyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)9-10-17(21)19-16(18(22)23-3)11-14-7-5-4-6-8-14/h4-8,16H,9-11H2,1-3H3,(H,19,21)
InChIKeyISCZQLUQGSFFFO-UHFFFAOYSA-N
XLogP2.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 32726912
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 18166430
methyl (2S)-2-[3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-3-phenylpropanoate
CID 91640715
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550418
methyl 2-(5-hydroxypentanoylamino)-3-phenylpropanoate
CID 79198729
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid
CID 146135264
methyl (2S)-2-[(3-benzyl-1,2-oxazole-5-carbonyl)amino]-3-phenylpropanoate
CID 42164387
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl (2S)-2-(pent-4-ynoylamino)-3-phenylpropanoate
CID 101205649

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate (CID 51072879) is methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)CCc1c(C)noc1C.
What is the InChIKey of methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate?
The InChIKey is ISCZQLUQGSFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)9-10-17(21)19-16(18(22)23-3)11-14-7-5-4-6-8-14/h4-8,16H,9-11H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate?
methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate has a molecular weight of 330.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate is sourced from PubChem (CID 51072879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).