4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole

C24H26N4O — CID 125024963

IUPAC4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc([C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)nc1
InChIInChI=1S/C24H26N4O/c1-16-24(17(2)29-27-16)18-9-10-22(25-12-18)19-6-5-11-28(14-19)15-20-13-26-23-8-4-3-7-21(20)23/h3-4,7-10,12-13,19,26H,5-6,11,14-15H2,1-2H3/t19-/m0/s1
InChIKeyZJGDJVZKOTUPQW-IBGZPJMESA-N
MW386.50 g/mol
LogP5.21
Rot. Bonds4

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

4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 125024963) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
PubChem CID125024963
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc([C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)nc1
InChIInChI=1S/C24H26N4O/c1-16-24(17(2)29-27-16)18-9-10-22(25-12-18)19-6-5-11-28(14-19)15-20-13-26-23-8-4-3-7-21(20)23/h3-4,7-10,12-13,19,26H,5-6,11,14-15H2,1-2H3/t19-/m0/s1
InChIKeyZJGDJVZKOTUPQW-IBGZPJMESA-N
XLogP5.21
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
CID 124960755
4-[6-[[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124957980
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 124964238
[3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159035
3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
CID 124970706
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol
CID 110129610
3,5-dimethyl-4-[[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95110918
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole (CID 125024963) is 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc([C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)nc1.
What is the InChIKey of 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZJGDJVZKOTUPQW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-24(17(2)29-27-16)18-9-10-22(25-12-18)19-6-5-11-28(14-19)15-20-13-26-23-8-4-3-7-21(20)23/h3-4,7-10,12-13,19,26H,5-6,11,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole?
4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 386.50 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 125024963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).