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

C17H16N2O3S — CID 18165648

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCCc1nc(COC(=O)c2c(-c3ccccc3)noc2C)cs1
InChIInChI=1S/C17H16N2O3S/c1-3-14-18-13(10-23-14)9-21-17(20)15-11(2)22-19-16(15)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyPYGFSOMBBYPQIL-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.03
Rot. Bonds5

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

(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 18165648) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID18165648
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCCc1nc(COC(=O)c2c(-c3ccccc3)noc2C)cs1
InChIInChI=1S/C17H16N2O3S/c1-3-14-18-13(10-23-14)9-21-17(20)15-11(2)22-19-16(15)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyPYGFSOMBBYPQIL-UHFFFAOYSA-N
XLogP4.03
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780439
(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 18165685
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
(2-cyanophenyl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2629944
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
(2-ethyl-1,3-thiazol-4-yl)methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 55541281
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581477
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581384
2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614298
[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8952432
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550414
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2629937

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 18165648) is (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is CCc1nc(COC(=O)c2c(-c3ccccc3)noc2C)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is PYGFSOMBBYPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-14-18-13(10-23-14)9-21-17(20)15-11(2)22-19-16(15)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 18165648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).