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

C24H17FN4O2 — CID 127030148

IUPAC(Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one
SMILESO=C(/C=C\c1ccccc1F)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12
InChIInChI=1S/C24H17FN4O2/c25-20-7-3-1-5-16(20)9-10-22(30)29-24(19-15-27-21-8-4-2-6-18(19)21)31-23(28-29)17-11-13-26-14-12-17/h1-15,24,27H/b10-9-
InChIKeyIGKGNEPMCHQTPB-KTKRTIGZSA-N
MW412.42 g/mol
LogP4.63
Rot. Bonds4

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

(Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one (PubChem CID 127030148) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is (Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one
PubChem CID127030148
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC Name(Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one
SMILESO=C(/C=C\c1ccccc1F)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12
InChIInChI=1S/C24H17FN4O2/c25-20-7-3-1-5-16(20)9-10-22(30)29-24(19-15-27-21-8-4-2-6-18(19)21)31-23(28-29)17-11-13-26-14-12-17/h1-15,24,27H/b10-9-
InChIKeyIGKGNEPMCHQTPB-KTKRTIGZSA-N
XLogP4.63
TPSA70.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.63
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)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one?
The IUPAC name of (Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one (CID 127030148) is (Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one is O=C(/C=C\c1ccccc1F)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12.
What is the InChIKey of (Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one?
The InChIKey is IGKGNEPMCHQTPB-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H17FN4O2/c25-20-7-3-1-5-16(20)9-10-22(30)29-24(19-15-27-21-8-4-2-6-18(19)21)31-23(28-29)17-11-13-26-14-12-17/h1-15,24,27H/b10-9-.
What are the key properties of (Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one?
(Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one has a molecular weight of 412.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]prop-2-en-1-one is sourced from PubChem (CID 127030148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).