[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate

C15H12N2O4S — CID 7887276

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cc3ccccc3s2)no1
InChIInChI=1S/C15H12N2O4S/c1-9-6-13(17-21-9)16-14(18)8-20-15(19)12-7-10-4-2-3-5-11(10)22-12/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyIXNTVLSYCMGMST-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.99
Rot. Bonds4

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate (PubChem CID 7887276) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
PubChem CID7887276
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cc3ccccc3s2)no1
InChIInChI=1S/C15H12N2O4S/c1-9-6-13(17-21-9)16-14(18)8-20-15(19)12-7-10-4-2-3-5-11(10)22-12/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyIXNTVLSYCMGMST-UHFFFAOYSA-N
XLogP2.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate (CID 7887276) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate is Cc1cc(NC(=O)COC(=O)c2cc3ccccc3s2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The InChIKey is IXNTVLSYCMGMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-9-6-13(17-21-9)16-14(18)8-20-15(19)12-7-10-4-2-3-5-11(10)22-12/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate is sourced from PubChem (CID 7887276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).