2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one

C20H20N2O2 — CID 59170271

IUPAC2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one
SMILESCc1onc(-c2ccccc2)c1C(=O)C(C)CCc1cccnc1
InChIInChI=1S/C20H20N2O2/c1-14(10-11-16-7-6-12-21-13-16)20(23)18-15(2)24-22-19(18)17-8-4-3-5-9-17/h3-9,12-14H,10-11H2,1-2H3
InChIKeyAAPHPYIZCGFPEH-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.50
Rot. Bonds6

About 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one

2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one (PubChem CID 59170271) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one
PubChem CID59170271
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one
SMILESCc1onc(-c2ccccc2)c1C(=O)C(C)CCc1cccnc1
InChIInChI=1S/C20H20N2O2/c1-14(10-11-16-7-6-12-21-13-16)20(23)18-15(2)24-22-19(18)17-8-4-3-5-9-17/h3-9,12-14H,10-11H2,1-2H3
InChIKeyAAPHPYIZCGFPEH-UHFFFAOYSA-N
XLogP4.50
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
N-[(2-ethoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001859
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
5-methyl-N-[phenyl(pyridin-3-yl)methyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 46963251
N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42649451
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one?
The IUPAC name of 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one (CID 59170271) is 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one?
The canonical SMILES for 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one is Cc1onc(-c2ccccc2)c1C(=O)C(C)CCc1cccnc1.
What is the InChIKey of 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one?
The InChIKey is AAPHPYIZCGFPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(10-11-16-7-6-12-21-13-16)20(23)18-15(2)24-22-19(18)17-8-4-3-5-9-17/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one?
2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 59170271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).