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

C13H19ClN2O2 — CID 114147630

IUPACN-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCC(Cl)C2)o1
InChIInChI=1S/C13H19ClN2O2/c1-8-12(18-9(2)16-8)13(17)15-7-10-4-3-5-11(14)6-10/h10-11H,3-7H2,1-2H3,(H,15,17)
InChIKeyIWURZDIWWKYMAI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.82
Rot. Bonds3

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

N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114147630) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114147630
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCC(Cl)C2)o1
InChIInChI=1S/C13H19ClN2O2/c1-8-12(18-9(2)16-8)13(17)15-7-10-4-3-5-11(14)6-10/h10-11H,3-7H2,1-2H3,(H,15,17)
InChIKeyIWURZDIWWKYMAI-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-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 154789593
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113273913
N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 146044965
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 131924897
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
N-(2-amino-2-cyclopropylethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 115301105
N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 106127337
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 100638775
3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 106132295
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide;formic acid
CID 154913506

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114147630) is N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCCC(Cl)C2)o1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is IWURZDIWWKYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8-12(18-9(2)16-8)13(17)15-7-10-4-3-5-11(14)6-10/h10-11H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(3-chlorocyclohexyl)methyl]-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-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114147630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).