ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate

C16H18N2O4 — CID 110679362

IUPACethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCc1coc(C)n1
InChIInChI=1S/C16H18N2O4/c1-3-21-16(20)13-6-4-5-7-14(13)18-15(19)9-8-12-10-22-11(2)17-12/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyTVUMATSFLBXTPA-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.73
Rot. Bonds6

About ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate

ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate (PubChem CID 110679362) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate
PubChem CID110679362
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCc1coc(C)n1
InChIInChI=1S/C16H18N2O4/c1-3-21-16(20)13-6-4-5-7-14(13)18-15(19)9-8-12-10-22-11(2)17-12/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyTVUMATSFLBXTPA-UHFFFAOYSA-N
XLogP2.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 110686434
ethyl 2-(5-bromopentanoylamino)benzoate
CID 103601672
N-(2,4-dimethylphenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679261
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18104014
ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate
CID 163216114
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate?
The IUPAC name of ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate (CID 110679362) is ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate?
The canonical SMILES for ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCc1coc(C)n1.
What is the InChIKey of ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate?
The InChIKey is TVUMATSFLBXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-21-16(20)13-6-4-5-7-14(13)18-15(19)9-8-12-10-22-11(2)17-12/h4-7,10H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate?
ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate has a molecular weight of 302.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate is sourced from PubChem (CID 110679362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).