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

C14H21ClN2O2 — CID 113273913

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCCC2CCl)o1
InChIInChI=1S/C14H21ClN2O2/c1-9-13(19-10(2)17-9)14(18)16-8-12-6-4-3-5-11(12)7-15/h11-12H,3-8H2,1-2H3,(H,16,18)
InChIKeyITHPNTYLJCLCOL-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.07
Rot. Bonds4

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

N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 113273913) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID113273913
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCCC2CCl)o1
InChIInChI=1S/C14H21ClN2O2/c1-9-13(19-10(2)17-9)14(18)16-8-12-6-4-3-5-11(12)7-15/h11-12H,3-8H2,1-2H3,(H,16,18)
InChIKeyITHPNTYLJCLCOL-UHFFFAOYSA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.07
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-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 113273913) is N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCCCC2CCl)o1.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is ITHPNTYLJCLCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9-13(19-10(2)17-9)14(18)16-8-12-6-4-3-5-11(12)7-15/h11-12H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 113273913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).