[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

C14H15ClN2O4S — CID 18776428

IUPAC[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(Cl)s2)on1
InChIInChI=1S/C14H15ClN2O4S/c1-14(2,3)9-6-12(21-17-9)16-11(18)7-20-13(19)8-4-5-10(15)22-8/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyGXUZPWKSAWIKCQ-UHFFFAOYSA-N
MW342.80 g/mol
LogP3.48
Rot. Bonds4

About [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (PubChem CID 18776428) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
PubChem CID18776428
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(Cl)s2)on1
InChIInChI=1S/C14H15ClN2O4S/c1-14(2,3)9-6-12(21-17-9)16-11(18)7-20-13(19)8-4-5-10(15)22-8/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyGXUZPWKSAWIKCQ-UHFFFAOYSA-N
XLogP3.48
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-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-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7644829
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7519289
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18123020
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 26919046
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7603982
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7627100
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-nitrobenzoate
CID 7603828
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 31011870
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
CID 7630533
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
4-O-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-O,5-O-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate
CID 33294815

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (CID 18776428) is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(Cl)s2)on1.
What is the InChIKey of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is GXUZPWKSAWIKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-14(2,3)9-6-12(21-17-9)16-11(18)7-20-13(19)8-4-5-10(15)22-8/h4-6H,7H2,1-3H3,(H,16,18).
What are the key properties of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate has a molecular weight of 342.80 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 18776428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).