N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

C9H13ClN2O2 — CID 63393650

IUPACN-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(CCCl)C(=O)c1ccon1
InChIInChI=1S/C9H13ClN2O2/c1-7(2)12(5-4-10)9(13)8-3-6-14-11-8/h3,6-7H,4-5H2,1-2H3
InChIKeyLKTRFLLWRIVBHP-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.76
Rot. Bonds4

About N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 63393650) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID63393650
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(CCCl)C(=O)c1ccon1
InChIInChI=1S/C9H13ClN2O2/c1-7(2)12(5-4-10)9(13)8-3-6-14-11-8/h3,6-7H,4-5H2,1-2H3
InChIKeyLKTRFLLWRIVBHP-UHFFFAOYSA-N
XLogP1.76
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.76
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

2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
CID 94000771
3-[ethyl(1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 62826001
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 63391687
N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 83187340
N-(2-chloroethyl)-2,6-difluoro-3-methyl-N-propan-2-ylbenzamide
CID 82816222
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 63393978
5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
CID 63393502
N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide
CID 63393513
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
CID 134296437
N-(2-chloroethyl)-2-methylsulfanyl-N-propan-2-ylbenzamide
CID 79206105

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 63393650) is N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)N(CCCl)C(=O)c1ccon1.
What is the InChIKey of N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LKTRFLLWRIVBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-7(2)12(5-4-10)9(13)8-3-6-14-11-8/h3,6-7H,4-5H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 216.67 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 63393650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).