N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C9H13ClN2O2 — CID 104555676

IUPACN-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)C(C)CCl
InChIInChI=1S/C9H13ClN2O2/c1-6(4-10)12(3)9(13)8-5-11-14-7(8)2/h5-6H,4H2,1-3H3
InChIKeyFYHYDSOHDSCSFD-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.68
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 104555676) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID104555676
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)C(C)CCl
InChIInChI=1S/C9H13ClN2O2/c1-6(4-10)12(3)9(13)8-5-11-14-7(8)2/h5-6H,4H2,1-3H3
InChIKeyFYHYDSOHDSCSFD-UHFFFAOYSA-N
XLogP1.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 63395363
N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 104555874
N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 80659052
N-(1-chlorobutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114294294
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
5-methyl-1,2-oxazole-4-carboxamide
CID 18366019
3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 110836444
4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 104697982

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 104555676) is N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N(C)C(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is FYHYDSOHDSCSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-6(4-10)12(3)9(13)8-5-11-14-7(8)2/h5-6H,4H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 216.67 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 104555676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).