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

C13H19BrN2O2 — CID 103969910

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C13H19BrN2O2/c1-10-11(7-16-18-10)12(17)15-9-13(8-14)5-3-2-4-6-13/h7H,2-6,8-9H2,1H3,(H,15,17)
InChIKeyBAXMFNHHDNFDDG-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.06
Rot. Bonds4

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

N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 103969910) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID103969910
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C13H19BrN2O2/c1-10-11(7-16-18-10)12(17)15-9-13(8-14)5-3-2-4-6-13/h7H,2-6,8-9H2,1H3,(H,15,17)
InChIKeyBAXMFNHHDNFDDG-UHFFFAOYSA-N
XLogP3.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.06
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-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65119604
N-[[1-(bromomethyl)cyclohexyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672795
N-[[1-(bromomethyl)cyclopentyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 113439554
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide
CID 113359960
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
CID 103969750
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364372
N-[[1-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 103969790
N-[[1-(bromomethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 113439559

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 103969910) is N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BAXMFNHHDNFDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-10-11(7-16-18-10)12(17)15-9-13(8-14)5-3-2-4-6-13/h7H,2-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 103969910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).