N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide

C9H13ClN2O2 — CID 104555874

IUPACN-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)CCl)on1
InChIInChI=1S/C9H13ClN2O2/c1-6-4-8(14-11-6)9(13)12(3)7(2)5-10/h4,7H,5H2,1-3H3
InChIKeyQJHYNPXNVYEFMC-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.68
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide

N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide (PubChem CID 104555874) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
PubChem CID104555874
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)CCl)on1
InChIInChI=1S/C9H13ClN2O2/c1-6-4-8(14-11-6)9(13)12(3)7(2)5-10/h4,7H,5H2,1-3H3
InChIKeyQJHYNPXNVYEFMC-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-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 126989856
N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 104555676
N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide
CID 104555901
N-(1-chloro-4-methylpentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 114300759
N-(3-bromopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 106441431
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide
CID 78970837
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877
N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 106130200
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119209404
N,3-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 51207161

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide (CID 104555874) is N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(C)C(C)CCl)on1.
What is the InChIKey of N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The InChIKey is QJHYNPXNVYEFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-6-4-8(14-11-6)9(13)12(3)7(2)5-10/h4,7H,5H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide?
N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-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,3-dimethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 104555874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).