benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate

C19H18N2O4S — CID 31046909

IUPACbenzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C19H18N2O4S/c1-13-15(21-19(25-13)16-8-5-9-26-16)10-17(22)20-11-18(23)24-12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeySZIIURODSDDUKR-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.11
Rot. Bonds7

About benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate

benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate (PubChem CID 31046909) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
PubChem CID31046909
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namebenzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C19H18N2O4S/c1-13-15(21-19(25-13)16-8-5-9-26-16)10-17(22)20-11-18(23)24-12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeySZIIURODSDDUKR-UHFFFAOYSA-N
XLogP3.11
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenoxyethyl)acetamide
CID 32934772
N-[[3-(methoxymethyl)phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46470860
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31046939
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24627442
N-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 25475926
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46590390
2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide
CID 55659288
N-[2-(3-fluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31844590
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120546766

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate (CID 31046909) is benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate is Cc1oc(-c2cccs2)nc1CC(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate?
The InChIKey is SZIIURODSDDUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13-15(21-19(25-13)16-8-5-9-26-16)10-17(22)20-11-18(23)24-12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate?
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate has a molecular weight of 370.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate is sourced from PubChem (CID 31046909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).