N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide

C12H19ClN2O2 — CID 106117620

IUPACN-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1ocnc1C
InChIInChI=1S/C12H19ClN2O2/c1-3-4-10(5-6-13)7-14-12(16)11-9(2)15-8-17-11/h8,10H,3-7H2,1-2H3,(H,14,16)
InChIKeyNPJZUIKMMWZAFS-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.76
Rot. Bonds7

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

N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 106117620) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID106117620
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1ocnc1C
InChIInChI=1S/C12H19ClN2O2/c1-3-4-10(5-6-13)7-14-12(16)11-9(2)15-8-17-11/h8,10H,3-7H2,1-2H3,(H,14,16)
InChIKeyNPJZUIKMMWZAFS-UHFFFAOYSA-N
XLogP2.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.76
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-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
CID 114145694
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106288404
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107157028
N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106117786
N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
CID 106117656
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
CID 106117591
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 106117620) is N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide is CCCC(CCCl)CNC(=O)c1ocnc1C.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is NPJZUIKMMWZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-3-4-10(5-6-13)7-14-12(16)11-9(2)15-8-17-11/h8,10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 258.75 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 106117620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).