benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate

C22H22N2O4 — CID 30699767

IUPACbenzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(=O)OCc3ccccc3)o2)cc1
InChIInChI=1S/C22H22N2O4/c1-16-7-9-18(10-8-16)19-13-24-21(28-19)12-11-20(25)23-14-22(26)27-15-17-5-3-2-4-6-17/h2-10,13H,11-12,14-15H2,1H3,(H,23,25)
InChIKeyYOPQLLALLKCDQW-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.44
Rot. Bonds8

About benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate

benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate (PubChem CID 30699767) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
PubChem CID30699767
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Namebenzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(=O)OCc3ccccc3)o2)cc1
InChIInChI=1S/C22H22N2O4/c1-16-7-9-18(10-8-16)19-13-24-21(28-19)12-11-20(25)23-14-22(26)27-15-17-5-3-2-4-6-17/h2-10,13H,11-12,14-15H2,1H3,(H,23,25)
InChIKeyYOPQLLALLKCDQW-UHFFFAOYSA-N
XLogP3.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41331644
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55576627
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-[4-(methoxymethyl)phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119049686
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
benzyl 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]acetate
CID 26878237
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate?
The IUPAC name of benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate (CID 30699767) is benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate.
What is the SMILES notation for benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate?
The canonical SMILES for benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate is Cc1ccc(-c2cnc(CCC(=O)NCC(=O)OCc3ccccc3)o2)cc1.
What is the InChIKey of benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate?
The InChIKey is YOPQLLALLKCDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-16-7-9-18(10-8-16)19-13-24-21(28-19)12-11-20(25)23-14-22(26)27-15-17-5-3-2-4-6-17/h2-10,13H,11-12,14-15H2,1H3,(H,23,25).
What are the key properties of benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate?
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate has a molecular weight of 378.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate is sourced from PubChem (CID 30699767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).