N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide

C15H10BrClN2O2S — CID 11696940

IUPACN-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NCc1cc(-c2cccc(Br)c2)no1)c1ccc(Cl)s1
InChIInChI=1S/C15H10BrClN2O2S/c16-10-3-1-2-9(6-10)12-7-11(21-19-12)8-18-15(20)13-4-5-14(17)22-13/h1-7H,8H2,(H,18,20)
InChIKeyICPHOIDLZAAFFI-UHFFFAOYSA-N
MW397.68 g/mol
LogP4.75
Rot. Bonds4

About N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide

N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 11696940) has the molecular formula C15H10BrClN2O2S and a molecular weight of 397.68 g/mol. Its IUPAC name is N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
PubChem CID11696940
Molecular FormulaC15H10BrClN2O2S
Molecular Weight397.68 g/mol
Exact Mass395.93
IUPAC NameN-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NCc1cc(-c2cccc(Br)c2)no1)c1ccc(Cl)s1
InChIInChI=1S/C15H10BrClN2O2S/c16-10-3-1-2-9(6-10)12-7-11(21-19-12)8-18-15(20)13-4-5-14(17)22-13/h1-7H,8H2,(H,18,20)
InChIKeyICPHOIDLZAAFFI-UHFFFAOYSA-N
XLogP4.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.68
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide (CID 11696940) is N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide is O=C(NCc1cc(-c2cccc(Br)c2)no1)c1ccc(Cl)s1.
What is the InChIKey of N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is ICPHOIDLZAAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2S/c16-10-3-1-2-9(6-10)12-7-11(21-19-12)8-18-15(20)13-4-5-14(17)22-13/h1-7H,8H2,(H,18,20).
What are the key properties of N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide?
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 397.68 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 11696940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).