N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide

C12H17BrN2O2 — CID 106367227

IUPACN-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCCC1CBr
InChIInChI=1S/C12H17BrN2O2/c1-8-11(17-7-14-8)12(16)15-10-5-3-2-4-9(10)6-13/h7,9-10H,2-6H2,1H3,(H,15,16)
InChIKeyRKFVOQZOMUHYLS-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.67
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 106367227) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID106367227
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCCC1CBr
InChIInChI=1S/C12H17BrN2O2/c1-8-11(17-7-14-8)12(16)15-10-5-3-2-4-9(10)6-13/h7,9-10H,2-6H2,1H3,(H,15,16)
InChIKeyRKFVOQZOMUHYLS-UHFFFAOYSA-N
XLogP2.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110125439
N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79605102
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 106366592
N-[2-(bromomethyl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106367309
N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 81478804
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 106367227) is N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is RKFVOQZOMUHYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-11(17-7-14-8)12(16)15-10-5-3-2-4-9(10)6-13/h7,9-10H,2-6H2,1H3,(H,15,16).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 106367227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).