N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

C11H17ClN2O2 — CID 107205827

IUPACN-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCCCCl)no1
InChIInChI=1S/C11H17ClN2O2/c1-9-8-10(13-16-9)11(15)14(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyFHNWXPLJSPJBHW-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.46
Rot. Bonds6

About N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 107205827) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID107205827
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCCCCl)no1
InChIInChI=1S/C11H17ClN2O2/c1-9-8-10(13-16-9)11(15)14(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyFHNWXPLJSPJBHW-UHFFFAOYSA-N
XLogP2.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 107205772
N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide
CID 107205486
N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113560
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 107205827) is N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)CCCCCCl)no1.
What is the InChIKey of N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is FHNWXPLJSPJBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-9-8-10(13-16-9)11(15)14(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3.
What are the key properties of N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 244.72 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 107205827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).