2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C29H26F3N5O2 — CID 46208902

IUPAC2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCc3ccccc32)nc1C(F)(F)F
InChIInChI=1S/C29H26F3N5O2/c30-29(31,32)26-25(39-28(35-26)37-17-14-21-8-4-5-9-23(21)37)27(38)34-22-10-11-24(33-18-22)36-15-12-20(13-16-36)19-6-2-1-3-7-19/h1-11,18,20H,12-17H2,(H,34,38)
InChIKeyPNQZGVZCXCFCBX-UHFFFAOYSA-N
MW533.55 g/mol
LogP6.42
Rot. Bonds5

About 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46208902) has the molecular formula C29H26F3N5O2 and a molecular weight of 533.55 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46208902
Molecular FormulaC29H26F3N5O2
Molecular Weight533.55 g/mol
Exact Mass533.20
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCc3ccccc32)nc1C(F)(F)F
InChIInChI=1S/C29H26F3N5O2/c30-29(31,32)26-25(39-28(35-26)37-17-14-21-8-4-5-9-23(21)37)27(38)34-22-10-11-24(33-18-22)36-15-12-20(13-16-36)19-6-2-1-3-7-19/h1-11,18,20H,12-17H2,(H,34,38)
InChIKeyPNQZGVZCXCFCBX-UHFFFAOYSA-N
XLogP6.42
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46208902) is 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCc3ccccc32)nc1C(F)(F)F.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is PNQZGVZCXCFCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O2/c30-29(31,32)26-25(39-28(35-26)37-17-14-21-8-4-5-9-23(21)37)27(38)34-22-10-11-24(33-18-22)36-15-12-20(13-16-36)19-6-2-1-3-7-19/h1-11,18,20H,12-17H2,(H,34,38).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 533.55 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46208902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).