(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate

C19H18N2O4S — CID 24619139

IUPAC(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate
SMILESCC(=O)Nc1c(C)cccc1C(=O)OCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C19H18N2O4S/c1-11-6-4-7-14(17(11)20-13(3)22)19(23)24-10-15-12(2)25-18(21-15)16-8-5-9-26-16/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyVWZKLWSCZVJFHS-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.34
Rot. Bonds5

About (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate (PubChem CID 24619139) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate.

Molecular Properties

Compound Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate
PubChem CID24619139
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate
SMILESCC(=O)Nc1c(C)cccc1C(=O)OCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C19H18N2O4S/c1-11-6-4-7-14(17(11)20-13(3)22)19(23)24-10-15-12(2)25-18(21-15)16-8-5-9-26-16/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyVWZKLWSCZVJFHS-UHFFFAOYSA-N
XLogP4.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
CID 24651519
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 18145180
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,4-difluorobenzoate
CID 24618782
N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31759523
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 24619120
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
CID 55517849
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxyimino]butan-2-one
CID 136554626
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(dimethylamino)-5-nitrobenzoate
CID 41479471
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate
CID 18169981
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
5-methyl-4-[(2-methylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 55511571
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate?
The IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate (CID 24619139) is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate.
What is the SMILES notation for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate?
The canonical SMILES for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate is CC(=O)Nc1c(C)cccc1C(=O)OCc1nc(-c2cccs2)oc1C.
What is the InChIKey of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate?
The InChIKey is VWZKLWSCZVJFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11-6-4-7-14(17(11)20-13(3)22)19(23)24-10-15-12(2)25-18(21-15)16-8-5-9-26-16/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate?
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate has a molecular weight of 370.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate is sourced from PubChem (CID 24619139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).