ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate

C17H16N2O3S — CID 134942874

IUPACethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2sc(-c3ccccc3)nc2C)oc1C
InChIInChI=1S/C17H16N2O3S/c1-4-21-17(20)13-11(3)22-15(19-13)14-10(2)18-16(23-14)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKeyJQDWYTXTOFUFSA-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.26
Rot. Bonds4

About ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate

ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate (PubChem CID 134942874) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate
PubChem CID134942874
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Nameethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2sc(-c3ccccc3)nc2C)oc1C
InChIInChI=1S/C17H16N2O3S/c1-4-21-17(20)13-11(3)22-15(19-13)14-10(2)18-16(23-14)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKeyJQDWYTXTOFUFSA-UHFFFAOYSA-N
XLogP4.26
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 71392848
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 71563462
ethyl 5-(2-bromoethyl)-2-phenyl-1,3-thiazole-4-carboxylate
CID 174699502
ethyl 5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 55369577
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2668439
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate (CID 134942874) is ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2sc(-c3ccccc3)nc2C)oc1C.
What is the InChIKey of ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is JQDWYTXTOFUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-4-21-17(20)13-11(3)22-15(19-13)14-10(2)18-16(23-14)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 134942874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).