5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C22H18F2N4O3 — CID 112833827

IUPAC5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCc3c(F)cc(F)cc32)CC1
InChIInChI=1S/C22H18F2N4O3/c23-14-10-16(24)15-5-8-28(18(15)11-14)21(29)13-3-6-27(7-4-13)22-17(12-25)26-20(31-22)19-2-1-9-30-19/h1-2,9-11,13H,3-8H2
InChIKeyNAPUMKJSAHQNIT-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.89
Rot. Bonds3

About 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 112833827) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID112833827
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCc3c(F)cc(F)cc32)CC1
InChIInChI=1S/C22H18F2N4O3/c23-14-10-16(24)15-5-8-28(18(15)11-14)21(29)13-3-6-27(7-4-13)22-17(12-25)26-20(31-22)19-2-1-9-30-19/h1-2,9-11,13H,3-8H2
InChIKeyNAPUMKJSAHQNIT-UHFFFAOYSA-N
XLogP3.89
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 112833827) is 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCc3c(F)cc(F)cc32)CC1.
What is the InChIKey of 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is NAPUMKJSAHQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c23-14-10-16(24)15-5-8-28(18(15)11-14)21(29)13-3-6-27(7-4-13)22-17(12-25)26-20(31-22)19-2-1-9-30-19/h1-2,9-11,13H,3-8H2.
What are the key properties of 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 424.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 112833827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).