(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'}

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Related Compounds

N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide
CID 102543607
tert-butyl N-[(2S)-1-[[5-[1-(3,3-dimethylbutylamino)ethyl]-1,3-oxazol-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 86600933
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
N-(5-amino-2-pyridinyl)-2-propylpentanamide
CID 82985458
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid
CID 55097181
3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
CID 110835099
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide
CID 11211599
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120991561
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide
CID 120991562
2-chloro-N-(1-phenylpropyl)pentanamide
CID 165438595
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
CID 104876270

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).