N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C12H12ClN3O2 — CID 33328132

IUPACN-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H12ClN3O2/c1-7-10(8(2)18-16-7)5-12(17)15-11-4-3-9(13)6-14-11/h3-4,6H,5H2,1-2H3,(H,14,15,17)
InChIKeyDKOONELGDUNYON-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.52
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 33328132) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID33328132
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H12ClN3O2/c1-7-10(8(2)18-16-7)5-12(17)15-11-4-3-9(13)6-14-11/h3-4,6H,5H2,1-2H3,(H,14,15,17)
InChIKeyDKOONELGDUNYON-UHFFFAOYSA-N
XLogP2.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 33328132) is N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is DKOONELGDUNYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-10(8(2)18-16-7)5-12(17)15-11-4-3-9(13)6-14-11/h3-4,6H,5H2,1-2H3,(H,14,15,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 265.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 33328132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).