N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C13H19ClN2O2 — CID 106366658

IUPACN-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCCC2CCl)o1
InChIInChI=1S/C13H19ClN2O2/c1-8-12(18-9(2)15-8)13(17)16-11-6-4-3-5-10(11)7-14/h10-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyJJURKEYMUAZCJA-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.82
Rot. Bonds3

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

N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 106366658) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID106366658
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCCC2CCl)o1
InChIInChI=1S/C13H19ClN2O2/c1-8-12(18-9(2)15-8)13(17)16-11-6-4-3-5-10(11)7-14/h10-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyJJURKEYMUAZCJA-UHFFFAOYSA-N
XLogP2.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.82
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-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113273913
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
CID 91763879
N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114309103
N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106367227
2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102
2,4-dimethyl-N-(3-methylcyclopentyl)-1,3-oxazole-5-carboxamide
CID 114550016
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 124740057
N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106366828
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114147630

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 106366658) is N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCCCC2CCl)o1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is JJURKEYMUAZCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8-12(18-9(2)15-8)13(17)16-11-6-4-3-5-10(11)7-14/h10-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 106366658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).