(Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one

C24H18N4O2 — CID 127030463

IUPAC(Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccc1)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12
InChIInChI=1S/C24H18N4O2/c29-22(11-10-17-6-2-1-3-7-17)28-24(20-16-26-21-9-5-4-8-19(20)21)30-23(27-28)18-12-14-25-15-13-18/h1-16,24,26H/b11-10-
InChIKeyNJJVKCRTCMPQCH-KHPPLWFESA-N
MW394.43 g/mol
LogP4.50
Rot. Bonds4

About (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one

(Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one (PubChem CID 127030463) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one
PubChem CID127030463
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name(Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccc1)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12
InChIInChI=1S/C24H18N4O2/c29-22(11-10-17-6-2-1-3-7-17)28-24(20-16-26-21-9-5-4-8-19(20)21)30-23(27-28)18-12-14-25-15-13-18/h1-16,24,26H/b11-10-
InChIKeyNJJVKCRTCMPQCH-KHPPLWFESA-N
XLogP4.50
TPSA70.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one (CID 127030463) is (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one is O=C(/C=C\c1ccccc1)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12.
What is the InChIKey of (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one?
The InChIKey is NJJVKCRTCMPQCH-KHPPLWFESA-N. The full InChI is InChI=1S/C24H18N4O2/c29-22(11-10-17-6-2-1-3-7-17)28-24(20-16-26-21-9-5-4-8-19(20)21)30-23(27-28)18-12-14-25-15-13-18/h1-16,24,26H/b11-10-.
What are the key properties of (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one?
(Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one has a molecular weight of 394.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 127030463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).