methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate

C23H24N2O5 — CID 32726912

IUPACmethyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C23H24N2O5/c1-15-20(16(2)30-25-15)14-29-19-11-7-10-18(13-19)22(26)24-21(23(27)28-3)12-17-8-5-4-6-9-17/h4-11,13,21H,12,14H2,1-3H3,(H,24,26)/t21-/m0/s1
InChIKeyIPBVSVLRNHKXLK-NRFANRHFSA-N
MW408.45 g/mol
LogP3.38
Rot. Bonds8

About methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate

methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate (PubChem CID 32726912) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
PubChem CID32726912
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Namemethyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C23H24N2O5/c1-15-20(16(2)30-25-15)14-29-19-11-7-10-18(13-19)22(26)24-21(23(27)28-3)12-17-8-5-4-6-9-17/h4-11,13,21H,12,14H2,1-3H3,(H,24,26)/t21-/m0/s1
InChIKeyIPBVSVLRNHKXLK-NRFANRHFSA-N
XLogP3.38
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
methyl 2-[[3-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 75769179
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 8937144
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
CID 51072879
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 30371680
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43020451
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 42980957
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 51208668

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate (CID 32726912) is methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2c(C)noc2C)c1.
What is the InChIKey of methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The InChIKey is IPBVSVLRNHKXLK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15-20(16(2)30-25-15)14-29-19-11-7-10-18(13-19)22(26)24-21(23(27)28-3)12-17-8-5-4-6-9-17/h4-11,13,21H,12,14H2,1-3H3,(H,24,26)/t21-/m0/s1.
What are the key properties of methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate?
methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate has a molecular weight of 408.45 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 32726912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).