1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone

C19H13N3O3 — CID 149293132

IUPAC1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C19H13N3O3/c23-16(12-15-7-1-2-9-20-15)13-5-3-6-14(11-13)18-21-22-19(25-18)17-8-4-10-24-17/h1-11H,12H2
InChIKeyXVGCCGYVWYZEGP-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.82
Rot. Bonds5

About 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone

1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone (PubChem CID 149293132) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone
PubChem CID149293132
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C19H13N3O3/c23-16(12-15-7-1-2-9-20-15)13-5-3-6-14(11-13)18-21-22-19(25-18)17-8-4-10-24-17/h1-11H,12H2
InChIKeyXVGCCGYVWYZEGP-UHFFFAOYSA-N
XLogP3.82
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone (CID 149293132) is 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1cccc(-c2nnc(-c3ccco3)o2)c1.
What is the InChIKey of 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone?
The InChIKey is XVGCCGYVWYZEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-16(12-15-7-1-2-9-20-15)13-5-3-6-14(11-13)18-21-22-19(25-18)17-8-4-10-24-17/h1-11H,12H2.
What are the key properties of 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone?
1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone has a molecular weight of 331.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 149293132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).