5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole

C20H19N3O — CID 45278790

IUPAC5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCCC5)nc4c3)ccc21
InChIInChI=1S/C20H19N3O/c1-22-11-8-16-12-14(4-6-18(16)22)15-5-7-19-17(13-15)21-20(24-19)23-9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3
InChIKeyWNQNEAHDERILFU-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.59
Rot. Bonds2

About 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole

5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole (PubChem CID 45278790) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole
PubChem CID45278790
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCCC5)nc4c3)ccc21
InChIInChI=1S/C20H19N3O/c1-22-11-8-16-12-14(4-6-18(16)22)15-5-7-19-17(13-15)21-20(24-19)23-9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3
InChIKeyWNQNEAHDERILFU-UHFFFAOYSA-N
XLogP4.59
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole?
The IUPAC name of 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole (CID 45278790) is 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole?
The canonical SMILES for 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole is Cn1ccc2cc(-c3ccc4oc(N5CCCC5)nc4c3)ccc21.
What is the InChIKey of 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole?
The InChIKey is WNQNEAHDERILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-22-11-8-16-12-14(4-6-18(16)22)15-5-7-19-17(13-15)21-20(24-19)23-9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3.
What are the key properties of 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole?
5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole has a molecular weight of 317.39 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindol-5-yl)-2-pyrrolidin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 45278790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).