2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide

C29H37N5O2 — CID 170170360

IUPAC2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(C4OC=C(C(N)=O)N4CCN4CCCCC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H37N5O2/c1-18(2)26-23-16-21(8-9-24(23)32-27(26)22-14-19(3)31-20(4)15-22)29-34(25(17-36-29)28(30)35)13-12-33-10-6-5-7-11-33/h8-9,14-18,29,32H,5-7,10-13H2,1-4H3,(H2,30,35)
InChIKeyLFPMIYIZIWVVQX-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.11
Rot. Bonds7

About 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 170170360) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide
PubChem CID170170360
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(C4OC=C(C(N)=O)N4CCN4CCCCC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H37N5O2/c1-18(2)26-23-16-21(8-9-24(23)32-27(26)22-14-19(3)31-20(4)15-22)29-34(25(17-36-29)28(30)35)13-12-33-10-6-5-7-11-33/h8-9,14-18,29,32H,5-7,10-13H2,1-4H3,(H2,30,35)
InChIKeyLFPMIYIZIWVVQX-UHFFFAOYSA-N
XLogP5.11
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide
CID 170167932
2-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 154639719
1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 155142300
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 134329418
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 134329857
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxybutyl)acetamide
CID 134329458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide (CID 170170360) is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide is Cc1cc(-c2[nH]c3ccc(C4OC=C(C(N)=O)N4CCN4CCCCC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide?
The InChIKey is LFPMIYIZIWVVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-18(2)26-23-16-21(8-9-24(23)32-27(26)22-14-19(3)31-20(4)15-22)29-34(25(17-36-29)28(30)35)13-12-33-10-6-5-7-11-33/h8-9,14-18,29,32H,5-7,10-13H2,1-4H3,(H2,30,35).
What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide?
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170170360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).