1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H18N4O2 — CID 54578559

IUPAC1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1c1ccc(N(C)C)cc1
InChIInChI=1S/C17H18N4O2/c1-12(22)21-17(14-4-6-15(7-5-14)20(2)3)23-16(19-21)13-8-10-18-11-9-13/h4-11,17H,1-3H3
InChIKeyYGPPSAUHSFEDIX-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.39
Rot. Bonds3

About 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 54578559) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID54578559
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1c1ccc(N(C)C)cc1
InChIInChI=1S/C17H18N4O2/c1-12(22)21-17(14-4-6-15(7-5-14)20(2)3)23-16(19-21)13-8-10-18-11-9-13/h4-11,17H,1-3H3
InChIKeyYGPPSAUHSFEDIX-UHFFFAOYSA-N
XLogP2.39
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-Dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
CID 1224407
1-[5-phenyl-2-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3157934
1-[5-(4-methylphenyl)-2-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3157935
1-(2-(4-isopropylphenyl)-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl)ethanone
CID 3107379
1-[2-(2-Chlorophenyl)-5-(3-pyridyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one
CID 2796437
1-(3-Pyridin-4-yl-4-oxa-1,2-diaza-spiro[4.6]undec-2-en-1-yl)-ethanone
CID 600088
1-(3-Pyridin-4-yl-4-oxa-1,2-diaza-spiro[4.5]dec-2-en-1-yl)-ethanone
CID 957371
1-[2-(4-bromophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 72708510
1-[2-(4-Chlorophenyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 72708547
1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 72708548
1-[2-(3-chloro-2-fluorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 72708549
1-[2-Methyl-5-(6-methyl-3-pyridinyl)-2-(4-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone
CID 72708551

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 54578559) is 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccncc2)OC1c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is YGPPSAUHSFEDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(22)21-17(14-4-6-15(7-5-14)20(2)3)23-16(19-21)13-8-10-18-11-9-13/h4-11,17H,1-3H3.
What are the key properties of 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 310.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 54578559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).