methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate

C21H22N2O5S — CID 30371680

IUPACmethyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1cccc(OCc2c(C)noc2C)c1)c1cccs1
InChIInChI=1S/C21H22N2O5S/c1-13-17(14(2)28-23-13)12-27-16-7-4-6-15(10-16)21(25)22-18(11-20(24)26-3)19-8-5-9-29-19/h4-10,18H,11-12H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyNIDHYLDRIJTYRN-GOSISDBHSA-N
MW414.48 g/mol
LogP3.97
Rot. Bonds8

About methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate

methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 30371680) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID30371680
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Namemethyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1cccc(OCc2c(C)noc2C)c1)c1cccs1
InChIInChI=1S/C21H22N2O5S/c1-13-17(14(2)28-23-13)12-27-16-7-4-6-15(10-16)21(25)22-18(11-20(24)26-3)19-8-5-9-29-19/h4-10,18H,11-12H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyNIDHYLDRIJTYRN-GOSISDBHSA-N
XLogP3.97
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370
methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 32726912
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-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 43067087
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43059207
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 92614409
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46450144
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 30873457

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate (CID 30371680) is methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate is COC(=O)C[C@@H](NC(=O)c1cccc(OCc2c(C)noc2C)c1)c1cccs1.
What is the InChIKey of methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is NIDHYLDRIJTYRN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-13-17(14(2)28-23-13)12-27-16-7-4-6-15(10-16)21(25)22-18(11-20(24)26-3)19-8-5-9-29-19/h4-10,18H,11-12H2,1-3H3,(H,22,25)/t18-/m1/s1.
What are the key properties of methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate?
methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 414.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 30371680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).