(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate

C17H16N2O3S — CID 24651519

IUPAC(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H16N2O3S/c1-11-14(19-16(22-11)15-8-5-9-23-15)10-21-17(20)12-6-3-4-7-13(12)18-2/h3-9,18H,10H2,1-2H3
InChIKeyBMSGXHZVVQSVGB-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.11
Rot. Bonds5

About (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate (PubChem CID 24651519) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
PubChem CID24651519
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H16N2O3S/c1-11-14(19-16(22-11)15-8-5-9-23-15)10-21-17(20)12-6-3-4-7-13(12)18-2/h3-9,18H,10H2,1-2H3
InChIKeyBMSGXHZVVQSVGB-UHFFFAOYSA-N
XLogP4.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.11
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-(thiophene-2-carbonyl)benzoate
CID 18145180
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate
CID 24619139
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,4-difluorobenzoate
CID 24618782
(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
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(dimethylamino)-5-nitrobenzoate
CID 41479471
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
CID 51966261
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 16588954
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxyimino]butan-2-one
CID 136554626
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(methylamino)benzoate
CID 7602248
5-methyl-4-[(2-methylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 55511571

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate?
The IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate (CID 24651519) is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate.
What is the SMILES notation for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate?
The canonical SMILES for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCc1nc(-c2cccs2)oc1C.
What is the InChIKey of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate?
The InChIKey is BMSGXHZVVQSVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-14(19-16(22-11)15-8-5-9-23-15)10-21-17(20)12-6-3-4-7-13(12)18-2/h3-9,18H,10H2,1-2H3.
What are the key properties of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate?
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate has a molecular weight of 328.39 g/mol, XLogP of 4.11, 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-(methylamino)benzoate is sourced from PubChem (CID 24651519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).