4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole

C16H17N3O — CID 45278401

IUPAC4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole
SMILESc1ccc2c(-c3coc(C4CCNCC4)n3)c[nH]c2c1
InChIInChI=1S/C16H17N3O/c1-2-4-14-12(3-1)13(9-18-14)15-10-20-16(19-15)11-5-7-17-8-6-11/h1-4,9-11,17-18H,5-8H2
InChIKeyWUUIIPPYYVDVIE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.29
Rot. Bonds2

About 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole

4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole (PubChem CID 45278401) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole
PubChem CID45278401
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole
SMILESc1ccc2c(-c3coc(C4CCNCC4)n3)c[nH]c2c1
InChIInChI=1S/C16H17N3O/c1-2-4-14-12(3-1)13(9-18-14)15-10-20-16(19-15)11-5-7-17-8-6-11/h1-4,9-11,17-18H,5-8H2
InChIKeyWUUIIPPYYVDVIE-UHFFFAOYSA-N
XLogP3.29
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole (CID 45278401) is 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole is c1ccc2c(-c3coc(C4CCNCC4)n3)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is WUUIIPPYYVDVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-4-14-12(3-1)13(9-18-14)15-10-20-16(19-15)11-5-7-17-8-6-11/h1-4,9-11,17-18H,5-8H2.
What are the key properties of 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole?
4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 267.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 45278401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).