(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate

C21H20N2O4 — CID 8952093

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
SMILESCc1cc(COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)no1
InChIInChI=1S/C21H20N2O4/c1-15-12-17(22-27-15)14-26-21(25)19-11-7-6-10-18(19)20(24)23(2)13-16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3
InChIKeyXTJFNBYJFFLUBN-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.61
Rot. Bonds6

About (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate

(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate (PubChem CID 8952093) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
PubChem CID8952093
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
SMILESCc1cc(COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)no1
InChIInChI=1S/C21H20N2O4/c1-15-12-17(22-27-15)14-26-21(25)19-11-7-6-10-18(19)20(24)23(2)13-16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3
InChIKeyXTJFNBYJFFLUBN-UHFFFAOYSA-N
XLogP3.61
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 9063187
(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 28577191
(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 26988923
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
CID 17423867
2,3-dimethoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38872569
2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 7870307
(5-methyl-1,2-oxazol-3-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate
CID 8954366
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
CID 8945252
(5-methyl-1,2-oxazol-3-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate
CID 8948231
(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027662
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate (CID 8952093) is (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate is Cc1cc(COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate?
The InChIKey is XTJFNBYJFFLUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-15-12-17(22-27-15)14-26-21(25)19-11-7-6-10-18(19)20(24)23(2)13-16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate has a molecular weight of 364.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate is sourced from PubChem (CID 8952093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).