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

C11H17ClN2O2 — CID 106143121

IUPACN-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CCCl)no1
InChIInChI=1S/C11H17ClN2O2/c1-8-6-9(14-16-8)10(15)13-7-11(2,3)4-5-12/h6H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyYVCKJIDVXUEGBI-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.37
Rot. Bonds5

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

N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 106143121) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID106143121
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CCCl)no1
InChIInChI=1S/C11H17ClN2O2/c1-8-6-9(14-16-8)10(15)13-7-11(2,3)4-5-12/h6H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyYVCKJIDVXUEGBI-UHFFFAOYSA-N
XLogP2.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.37
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-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95984269
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106306919
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[3-(chloromethyl)pentan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 114304703
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 106143121) is N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(C)(C)CCCl)no1.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YVCKJIDVXUEGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-8-6-9(14-16-8)10(15)13-7-11(2,3)4-5-12/h6H,4-5,7H2,1-3H3,(H,13,15).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 244.72 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106143121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).