N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide

C9H13ClN2O2 — CID 102543607

IUPACN-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide
SMILESCC(C)(C)c1cnc(NC(=O)CCl)o1
InChIInChI=1S/C9H13ClN2O2/c1-9(2,3)6-5-11-8(14-6)12-7(13)4-10/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyFJGWDZPIVJKUBN-UHFFFAOYSA-N
MW216.67 g/mol
LogP2.15
Rot. Bonds2

About N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide

N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide (PubChem CID 102543607) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide
PubChem CID102543607
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide
SMILESCC(C)(C)c1cnc(NC(=O)CCl)o1
InChIInChI=1S/C9H13ClN2O2/c1-9(2,3)6-5-11-8(14-6)12-7(13)4-10/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyFJGWDZPIVJKUBN-UHFFFAOYSA-N
XLogP2.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 52.15
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

(2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide
CID 124500401
5-tert-butyl-1,3-oxazole-2-carboxamide
CID 69412800
2-(propanoylamino)-1,3-oxazole-5-carboxylic acid
CID 165486197
[5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid
CID 90286256
2-(dimethylamino)-N-(5-methyl-1,3-oxazol-2-yl)acetamide
CID 148676209
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
2-(dimethylamino)-N-(5-ethyl-1,3-oxazol-2-yl)acetamide
CID 89347935
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929
2-chloro-N-[2-(2-methylpropyl)pyrimidin-5-yl]acetamide
CID 166406336
2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide
CID 126987932

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide?
The IUPAC name of N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide (CID 102543607) is N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide?
The canonical SMILES for N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide is CC(C)(C)c1cnc(NC(=O)CCl)o1.
What is the InChIKey of N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide?
The InChIKey is FJGWDZPIVJKUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-9(2,3)6-5-11-8(14-6)12-7(13)4-10/h5H,4H2,1-3H3,(H,11,12,13).
What are the key properties of N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide?
N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide has a molecular weight of 216.67 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide is sourced from PubChem (CID 102543607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).