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

C13H14N2O3S — CID 114372123

IUPACethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2scnc2C)nc1C1CC1
InChIInChI=1S/C13H14N2O3S/c1-3-17-13(16)10-9(8-4-5-8)15-12(18-10)11-7(2)14-6-19-11/h6,8H,3-5H2,1-2H3
InChIKeyBFSPTYHSKLSSTF-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.16
Rot. Bonds4

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

ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate (PubChem CID 114372123) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate
PubChem CID114372123
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Nameethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2scnc2C)nc1C1CC1
InChIInChI=1S/C13H14N2O3S/c1-3-17-13(16)10-9(8-4-5-8)15-12(18-10)11-7(2)14-6-19-11/h6,8H,3-5H2,1-2H3
InChIKeyBFSPTYHSKLSSTF-UHFFFAOYSA-N
XLogP3.16
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-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

ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372237
ethyl 2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372042
ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372053
ethyl 2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372095
ethyl 2-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372317
4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 104842317
ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372274
ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate
CID 114372044
ethyl 2-(3-chlorothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80641084
2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374437
[4-methyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-5-yl]methanamine
CID 130856930
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate (CID 114372123) is ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2scnc2C)nc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate?
The InChIKey is BFSPTYHSKLSSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-17-13(16)10-9(8-4-5-8)15-12(18-10)11-7(2)14-6-19-11/h6,8H,3-5H2,1-2H3.
What are the key properties of ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate?
ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).