N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide

C10H13BrN2O2 — CID 114312088

IUPACN-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1Br)c1ccon1
InChIInChI=1S/C10H13BrN2O2/c11-7-3-1-2-4-8(7)12-10(14)9-5-6-15-13-9/h5-8H,1-4H2,(H,12,14)
InChIKeyJHZQJMBZQOFEGA-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.11
Rot. Bonds2

About N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide

N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide (PubChem CID 114312088) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide
PubChem CID114312088
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC NameN-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1Br)c1ccon1
InChIInChI=1S/C10H13BrN2O2/c11-7-3-1-2-4-8(7)12-10(14)9-5-6-15-13-9/h5-8H,1-4H2,(H,12,14)
InChIKeyJHZQJMBZQOFEGA-UHFFFAOYSA-N
XLogP2.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide (CID 114312088) is N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide is O=C(NC1CCCCC1Br)c1ccon1.
What is the InChIKey of N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JHZQJMBZQOFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-7-3-1-2-4-8(7)12-10(14)9-5-6-15-13-9/h5-8H,1-4H2,(H,12,14).
What are the key properties of N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide?
N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 114312088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).