N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C13H11BrN4O2S — CID 17022299

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cc(Br)cn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H11BrN4O2S/c14-9-7-16-18(8-9)4-3-15-13(19)10-6-11(20-17-10)12-2-1-5-21-12/h1-2,5-8H,3-4H2,(H,15,19)
InChIKeyCCHBIIZWMYYUBY-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17022299) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17022299
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cc(Br)cn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H11BrN4O2S/c14-9-7-16-18(8-9)4-3-15-13(19)10-6-11(20-17-10)12-2-1-5-21-12/h1-2,5-8H,3-4H2,(H,15,19)
InChIKeyCCHBIIZWMYYUBY-UHFFFAOYSA-N
XLogP2.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-[3-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990203
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805266
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17022299) is N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCn1cc(Br)cn1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is CCHBIIZWMYYUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c14-9-7-16-18(8-9)4-3-15-13(19)10-6-11(20-17-10)12-2-1-5-21-12/h1-2,5-8H,3-4H2,(H,15,19).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 367.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17022299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).