N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide

C8H11ClN2O2 — CID 83187340

IUPACN-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(CCCl)NC(=O)c1ccon1
InChIInChI=1S/C8H11ClN2O2/c1-6(2-4-9)10-8(12)7-3-5-13-11-7/h3,5-6H,2,4H2,1H3,(H,10,12)
InChIKeyOVWKBURGDRAGBI-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.42
Rot. Bonds4

About N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide

N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 83187340) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID83187340
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC NameN-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(CCCl)NC(=O)c1ccon1
InChIInChI=1S/C8H11ClN2O2/c1-6(2-4-9)10-8(12)7-3-5-13-11-7/h3,5-6H,2,4H2,1H3,(H,10,12)
InChIKeyOVWKBURGDRAGBI-UHFFFAOYSA-N
XLogP1.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.42
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-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
N-propan-2-yloxy-1,2-oxazole-3-carboxamide
CID 130688341
N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 114300229
N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide
CID 103579377
N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 113272358
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 63393650
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide
CID 106157906
N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 114299970

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide (CID 83187340) is N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide is CC(CCCl)NC(=O)c1ccon1.
What is the InChIKey of N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OVWKBURGDRAGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-6(2-4-9)10-8(12)7-3-5-13-11-7/h3,5-6H,2,4H2,1H3,(H,10,12).
What are the key properties of N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide?
N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 202.64 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 83187340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).