4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole

C17H19N3O — CID 45278402

IUPAC4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole
SMILESCn1cc(-c2coc(C3CCNCC3)n2)c2ccccc21
InChIInChI=1S/C17H19N3O/c1-20-10-14(13-4-2-3-5-16(13)20)15-11-21-17(19-15)12-6-8-18-9-7-12/h2-5,10-12,18H,6-9H2,1H3
InChIKeyNSHAFAHMWMCYQW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds2

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

4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole (PubChem CID 45278402) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole
PubChem CID45278402
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole
SMILESCn1cc(-c2coc(C3CCNCC3)n2)c2ccccc21
InChIInChI=1S/C17H19N3O/c1-20-10-14(13-4-2-3-5-16(13)20)15-11-21-17(19-15)12-6-8-18-9-7-12/h2-5,10-12,18H,6-9H2,1H3
InChIKeyNSHAFAHMWMCYQW-UHFFFAOYSA-N
XLogP3.30
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole (CID 45278402) is 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole is Cn1cc(-c2coc(C3CCNCC3)n2)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is NSHAFAHMWMCYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20-10-14(13-4-2-3-5-16(13)20)15-11-21-17(19-15)12-6-8-18-9-7-12/h2-5,10-12,18H,6-9H2,1H3.
What are the key properties of 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole?
4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 281.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 45278402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).