(5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane

C15H22N2O2 — CID 144572444

IUPAC(5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane
SMILESCC.CC.Cc1cc(C(=O)c2ncco2)cnc1C
InChIInChI=1S/C11H10N2O2.2C2H6/c1-7-5-9(6-13-8(7)2)10(14)11-12-3-4-15-11;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyUTJHGJCFGXEVSF-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.97
Rot. Bonds2

About (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane

(5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane (PubChem CID 144572444) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane.

Molecular Properties

Compound Name(5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane
PubChem CID144572444
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane
SMILESCC.CC.Cc1cc(C(=O)c2ncco2)cnc1C
InChIInChI=1S/C11H10N2O2.2C2H6/c1-7-5-9(6-13-8(7)2)10(14)11-12-3-4-15-11;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyUTJHGJCFGXEVSF-UHFFFAOYSA-N
XLogP3.97
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane?
The IUPAC name of (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane (CID 144572444) is (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane.
What is the SMILES notation for (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane?
The canonical SMILES for (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane is CC.CC.Cc1cc(C(=O)c2ncco2)cnc1C.
What is the InChIKey of (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane?
The InChIKey is UTJHGJCFGXEVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.2C2H6/c1-7-5-9(6-13-8(7)2)10(14)11-12-3-4-15-11;2*1-2/h3-6H,1-2H3;2*1-2H3.
What are the key properties of (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane?
(5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane has a molecular weight of 262.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanone;ethane is sourced from PubChem (CID 144572444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).