N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide

C13H14ClN3O2 — CID 62234760

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(Cl)n2)on1
InChIInChI=1S/C13H14ClN3O2/c1-13(2,3)9-7-11(19-17-9)16-12(18)8-5-4-6-10(14)15-8/h4-7H,1-3H3,(H,16,18)
InChIKeyJPYVVDPMKNRXNW-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.27
Rot. Bonds2

About N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide (PubChem CID 62234760) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide
PubChem CID62234760
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(Cl)n2)on1
InChIInChI=1S/C13H14ClN3O2/c1-13(2,3)9-7-11(19-17-9)16-12(18)8-5-4-6-10(14)15-8/h4-7H,1-3H3,(H,16,18)
InChIKeyJPYVVDPMKNRXNW-UHFFFAOYSA-N
XLogP3.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide
CID 103844025
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
4-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
CID 60717492
4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide
CID 102851049
2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate
CID 66728713
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
CID 18087249

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide (CID 62234760) is N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)c2cccc(Cl)n2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide?
The InChIKey is JPYVVDPMKNRXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-13(2,3)9-7-11(19-17-9)16-12(18)8-5-4-6-10(14)15-8/h4-7H,1-3H3,(H,16,18).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide is sourced from PubChem (CID 62234760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).