benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate

C20H18N2O4 — CID 26262948

IUPACbenzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-14-18(19(22-26-14)16-10-6-3-7-11-16)20(24)21-12-17(23)25-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyCKTZWFKHZHIWAM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.12
Rot. Bonds6

About benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate

benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate (PubChem CID 26262948) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate
PubChem CID26262948
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namebenzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-14-18(19(22-26-14)16-10-6-3-7-11-16)20(24)21-12-17(23)25-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyCKTZWFKHZHIWAM-UHFFFAOYSA-N
XLogP3.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512
N-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2-oxoethyl]-2-phenylmethoxyacetamide
CID 67420627
benzyl 2-benzamidoacetate;ethane
CID 142836612
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581443
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
5-methyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 134054985
benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 32677770
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
benzyl 2-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]acetate
CID 3776537

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate (CID 26262948) is benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate is Cc1onc(-c2ccccc2)c1C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate?
The InChIKey is CKTZWFKHZHIWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-14-18(19(22-26-14)16-10-6-3-7-11-16)20(24)21-12-17(23)25-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate?
benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate has a molecular weight of 350.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 26262948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).