methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate

C22H22N2O6 — CID 56570036

IUPACmethyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCCc1ccc(-c2cc(NC(=O)c3ccc(OCC(=O)OC)c(OC)c3)on2)cc1
InChIInChI=1S/C22H22N2O6/c1-4-14-5-7-15(8-6-14)17-12-20(30-24-17)23-22(26)16-9-10-18(19(11-16)27-2)29-13-21(25)28-3/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKeyYNJQKHNBDCQJBG-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.72
Rot. Bonds8

About methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 56570036) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID56570036
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Namemethyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCCc1ccc(-c2cc(NC(=O)c3ccc(OCC(=O)OC)c(OC)c3)on2)cc1
InChIInChI=1S/C22H22N2O6/c1-4-14-5-7-15(8-6-14)17-12-20(30-24-17)23-22(26)16-9-10-18(19(11-16)27-2)29-13-21(25)28-3/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKeyYNJQKHNBDCQJBG-UHFFFAOYSA-N
XLogP3.72
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate with MolForge

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Related Compounds

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 56544924
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
2-(2,4-difluorophenoxy)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56530159
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
4-amino-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-nitrobenzamide
CID 56544763
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55771551
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 56544885
3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
CID 35338112
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 56529971
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate (CID 56570036) is methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate is CCc1ccc(-c2cc(NC(=O)c3ccc(OCC(=O)OC)c(OC)c3)on2)cc1.
What is the InChIKey of methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is YNJQKHNBDCQJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-4-14-5-7-15(8-6-14)17-12-20(30-24-17)23-22(26)16-9-10-18(19(11-16)27-2)29-13-21(25)28-3/h5-12H,4,13H2,1-3H3,(H,23,26).
What are the key properties of methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 410.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 56570036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).