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2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

C29H35N5O2 — CID 151062765

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(-c4nc(C(=O)NC5CCN(C(C)C)CC5)co4)cc3c2C(C)C)ccn1
InChIInChI=1S/C29H35N5O2/c1-17(2)26-23-15-21(6-7-24(23)32-27(26)20-8-11-30-19(5)14-20)29-33-25(16-36-29)28(35)31-22-9-12-34(13-10-22)18(3)4/h6-8,11,14-18,22,32H,9-10,12-13H2,1-5H3,(H,31,35)
InChIKeyMGNBWTOCULCWOS-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.92
Rot. Bonds6

About 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 151062765) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID151062765
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(-c4nc(C(=O)NC5CCN(C(C)C)CC5)co4)cc3c2C(C)C)ccn1
InChIInChI=1S/C29H35N5O2/c1-17(2)26-23-15-21(6-7-24(23)32-27(26)20-8-11-30-19(5)14-20)29-33-25(16-36-29)28(35)31-22-9-12-34(13-10-22)18(3)4/h6-8,11,14-18,22,32H,9-10,12-13H2,1-5H3,(H,31,35)
InChIKeyMGNBWTOCULCWOS-UHFFFAOYSA-N
XLogP5.92
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (CID 151062765) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2[nH]c3ccc(-c4nc(C(=O)NC5CCN(C(C)C)CC5)co4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is MGNBWTOCULCWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-17(2)26-23-15-21(6-7-24(23)32-27(26)20-8-11-30-19(5)14-20)29-33-25(16-36-29)28(35)31-22-9-12-34(13-10-22)18(3)4/h6-8,11,14-18,22,32H,9-10,12-13H2,1-5H3,(H,31,35).
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 151062765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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