2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole

C23H17N5O — CID 90256741

IUPAC2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc4[nH]cc(-c5nccc(C6CC6)n5)c4c3)o2)cc1
InChIInChI=1S/C23H17N5O/c1-2-4-15(5-3-1)22-27-28-23(29-22)16-8-9-20-17(12-16)18(13-25-20)21-24-11-10-19(26-21)14-6-7-14/h1-5,8-14,25H,6-7H2
InChIKeyWHFMKTUASWKIEL-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.22
Rot. Bonds4

About 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole

2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 90256741) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID90256741
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc4[nH]cc(-c5nccc(C6CC6)n5)c4c3)o2)cc1
InChIInChI=1S/C23H17N5O/c1-2-4-15(5-3-1)22-27-28-23(29-22)16-8-9-20-17(12-16)18(13-25-20)21-24-11-10-19(26-21)14-6-7-14/h1-5,8-14,25H,6-7H2
InChIKeyWHFMKTUASWKIEL-UHFFFAOYSA-N
XLogP5.22
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole (CID 90256741) is 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc4[nH]cc(-c5nccc(C6CC6)n5)c4c3)o2)cc1.
What is the InChIKey of 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is WHFMKTUASWKIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-2-4-15(5-3-1)22-27-28-23(29-22)16-8-9-20-17(12-16)18(13-25-20)21-24-11-10-19(26-21)14-6-7-14/h1-5,8-14,25H,6-7H2.
What are the key properties of 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 379.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 90256741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).