4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide

C11H11BrN2O2S — CID 17250146

IUPAC4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2ccon2)cc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-2-3-8-7(12)6-9(17-8)11(15)13-10-4-5-16-14-10/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyZZXDSKDMGUZELO-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.70
Rot. Bonds4

About 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide

4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide (PubChem CID 17250146) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide
PubChem CID17250146
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2ccon2)cc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-2-3-8-7(12)6-9(17-8)11(15)13-10-4-5-16-14-10/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyZZXDSKDMGUZELO-UHFFFAOYSA-N
XLogP3.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide (CID 17250146) is 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)Nc2ccon2)cc1Br.
What is the InChIKey of 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide?
The InChIKey is ZZXDSKDMGUZELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-2-3-8-7(12)6-9(17-8)11(15)13-10-4-5-16-14-10/h4-6H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide?
4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 17250146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).