ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate

C21H20N2O4S — CID 55445963

IUPACethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O4S/c1-2-26-21(25)18-16(13-8-9-13)12-28-20(18)23-17(24)10-15-11-27-19(22-15)14-6-4-3-5-7-14/h3-7,11-13H,2,8-10H2,1H3,(H,23,24)
InChIKeyJKLFHBGLZULKTJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.64
Rot. Bonds7

About ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 55445963) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID55445963
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Nameethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O4S/c1-2-26-21(25)18-16(13-8-9-13)12-28-20(18)23-17(24)10-15-11-27-19(22-15)14-6-4-3-5-7-14/h3-7,11-13H,2,8-10H2,1H3,(H,23,24)
InChIKeyJKLFHBGLZULKTJ-UHFFFAOYSA-N
XLogP4.64
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate (CID 55445963) is ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is JKLFHBGLZULKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-26-21(25)18-16(13-8-9-13)12-28-20(18)23-17(24)10-15-11-27-19(22-15)14-6-4-3-5-7-14/h3-7,11-13H,2,8-10H2,1H3,(H,23,24).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55445963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).