N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide

C10H15ClN2O2 — CID 106130200

IUPACN-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCC(C)Cl)on1
InChIInChI=1S/C10H15ClN2O2/c1-7(11)4-3-5-12-10(14)9-6-8(2)13-15-9/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyJBKFESHFHJYGPR-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.12
Rot. Bonds5

About N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 106130200) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID106130200
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC NameN-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCC(C)Cl)on1
InChIInChI=1S/C10H15ClN2O2/c1-7(11)4-3-5-12-10(14)9-6-8(2)13-15-9/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyJBKFESHFHJYGPR-UHFFFAOYSA-N
XLogP2.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.12
H-Bond Donors ≤ 51
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

3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 130266249
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
N-[[4-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107233243
N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 62651855
N-(1-chloro-4-methylpentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 114300759
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
N-[[3-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 113272765
N-(4-chloropentyl)pyrimidine-5-carboxamide
CID 106129425
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 106130200) is N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCCCC(C)Cl)on1.
What is the InChIKey of N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JBKFESHFHJYGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-7(11)4-3-5-12-10(14)9-6-8(2)13-15-9/h6-7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 230.69 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 106130200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).