5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole

C16H18N2O — CID 5250460

IUPAC5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole
SMILESCCCCCc1ncc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C16H18N2O/c1-2-3-4-9-16-18-11-15(19-16)13-10-17-14-8-6-5-7-12(13)14/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyQWBQGSICTTZLHY-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.56
Rot. Bonds5

About 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole

5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole (PubChem CID 5250460) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole
PubChem CID5250460
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole
SMILESCCCCCc1ncc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C16H18N2O/c1-2-3-4-9-16-18-11-15(19-16)13-10-17-14-8-6-5-7-12(13)14/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyQWBQGSICTTZLHY-UHFFFAOYSA-N
XLogP4.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole?
The IUPAC name of 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole (CID 5250460) is 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole.
What is the SMILES notation for 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole?
The canonical SMILES for 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole is CCCCCc1ncc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole?
The InChIKey is QWBQGSICTTZLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-3-4-9-16-18-11-15(19-16)13-10-17-14-8-6-5-7-12(13)14/h5-8,10-11,17H,2-4,9H2,1H3.
What are the key properties of 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole?
5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole has a molecular weight of 254.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole is sourced from PubChem (CID 5250460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).