N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C9H13ClN2O2 — CID 114296555

IUPACN-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(C)Cl)o1
InChIInChI=1S/C9H13ClN2O2/c1-5(10)4-11-9(13)8-6(2)12-7(3)14-8/h5H,4H2,1-3H3,(H,11,13)
InChIKeyKMIDBFMAHZIFPM-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.65
Rot. Bonds3

About N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114296555) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114296555
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(C)Cl)o1
InChIInChI=1S/C9H13ClN2O2/c1-5(10)4-11-9(13)8-6(2)12-7(3)14-8/h5H,4H2,1-3H3,(H,11,13)
InChIKeyKMIDBFMAHZIFPM-UHFFFAOYSA-N
XLogP1.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.65
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-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428
N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026402
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120651676
N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114299594
N-(2-bromo-4,4-dimethylpentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107156647
N-(2-amino-2-cyclopropylethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 115301105
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114305863
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79026371
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107318424

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114296555) is N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(C)Cl)o1.
What is the InChIKey of N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is KMIDBFMAHZIFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-5(10)4-11-9(13)8-6(2)12-7(3)14-8/h5H,4H2,1-3H3,(H,11,13).
What are the key properties of N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 216.67 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114296555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).