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

C12H19ClN2O2 — CID 107157028

IUPACN-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(Cl)CC(C)(C)C
InChIInChI=1S/C12H19ClN2O2/c1-8-10(17-7-15-8)11(16)14-6-9(13)5-12(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,16)
InChIKeyWGFZOAMTEWMDQZ-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.76
Rot. Bonds4

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

N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 107157028) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID107157028
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(Cl)CC(C)(C)C
InChIInChI=1S/C12H19ClN2O2/c1-8-10(17-7-15-8)11(16)14-6-9(13)5-12(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,16)
InChIKeyWGFZOAMTEWMDQZ-UHFFFAOYSA-N
XLogP2.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
N-(2-chloro-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 107156842
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106288404
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106117620
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79881793
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid
CID 81362881
4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
CID 104581007
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364085
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022
N-(2-chloro-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 107156830

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 107157028) is N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC(Cl)CC(C)(C)C.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is WGFZOAMTEWMDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-8-10(17-7-15-8)11(16)14-6-9(13)5-12(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 258.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 107157028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).