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

C12H19ClN2O2 — CID 124500401

IUPAC(2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide
SMILESCCC[C@@H](Cl)C(=O)Nc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H19ClN2O2/c1-5-6-8(13)10(16)15-11-14-7-9(17-11)12(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,15,16)/t8-/m1/s1
InChIKeyDTMHJPVIJSHAPV-MRVPVSSYSA-N
MW258.75 g/mol
LogP3.32
Rot. Bonds4

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

(2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide (PubChem CID 124500401) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide.

Molecular Properties

Compound Name(2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide
PubChem CID124500401
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name(2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide
SMILESCCC[C@@H](Cl)C(=O)Nc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H19ClN2O2/c1-5-6-8(13)10(16)15-11-14-7-9(17-11)12(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,15,16)/t8-/m1/s1
InChIKeyDTMHJPVIJSHAPV-MRVPVSSYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide?
The IUPAC name of (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide (CID 124500401) is (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide.
What is the SMILES notation for (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide?
The canonical SMILES for (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide is CCC[C@@H](Cl)C(=O)Nc1ncc(C(C)(C)C)o1.
What is the InChIKey of (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide?
The InChIKey is DTMHJPVIJSHAPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-5-6-8(13)10(16)15-11-14-7-9(17-11)12(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,15,16)/t8-/m1/s1.
What are the key properties of (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide?
(2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide has a molecular weight of 258.75 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide is sourced from PubChem (CID 124500401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).