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

C27H32N4O — CID 134330103

IUPAC2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncco5)CC4)cc3c2C(C)C)c(C)cn1
InChIInChI=1S/C27H32N4O/c1-17(2)26-23-14-21(20-7-10-31(11-8-20)16-25-28-9-12-32-25)5-6-24(23)30-27(26)22-13-19(4)29-15-18(22)3/h5-6,9,12-15,17,20,30H,7-8,10-11,16H2,1-4H3
InChIKeyJPJNNZCUGXKYEC-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.34
Rot. Bonds5

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

2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 134330103) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID134330103
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncco5)CC4)cc3c2C(C)C)c(C)cn1
InChIInChI=1S/C27H32N4O/c1-17(2)26-23-14-21(20-7-10-31(11-8-20)16-25-28-9-12-32-25)5-6-24(23)30-27(26)22-13-19(4)29-15-18(22)3/h5-6,9,12-15,17,20,30H,7-8,10-11,16H2,1-4H3
InChIKeyJPJNNZCUGXKYEC-UHFFFAOYSA-N
XLogP6.34
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10377753, Example 252
CID 124176103
US10660877, Example 698
CID 134329337
US10660877, Example 680
CID 134329392
US10660877, Example 700
CID 134329934
US10660877, Example 678
CID 134329950
US10660877, Example 387
CID 134329483
3-{2-oxo-2-[1-(2-pyridinyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]ethyl}-1,3-oxazolidin-2-one
CID 16187599
US10071079, Example 440
CID 132272309
US10071079, Example 446
CID 132272315
US10660877, Example 164
CID 134329231
US10660877, Example 307
CID 134329319
US10660877, Example 289
CID 134329321

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 134330103) is 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncco5)CC4)cc3c2C(C)C)c(C)cn1.
What is the InChIKey of 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is JPJNNZCUGXKYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-17(2)26-23-14-21(20-7-10-31(11-8-20)16-25-28-9-12-32-25)5-6-24(23)30-27(26)22-13-19(4)29-15-18(22)3/h5-6,9,12-15,17,20,30H,7-8,10-11,16H2,1-4H3.
What are the key properties of 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 428.58 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 134330103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).