2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole

C17H20N4O2 — CID 71934632

IUPAC2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole
SMILESCc1nc(C2CCCN2CCCc2nc3ccccc3o2)no1
InChIInChI=1S/C17H20N4O2/c1-12-18-17(20-23-12)14-7-4-10-21(14)11-5-9-16-19-13-6-2-3-8-15(13)22-16/h2-3,6,8,14H,4-5,7,9-11H2,1H3
InChIKeyXQSXLFGYXNTERZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.29
Rot. Bonds5

About 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole

2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole (PubChem CID 71934632) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole
PubChem CID71934632
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole
SMILESCc1nc(C2CCCN2CCCc2nc3ccccc3o2)no1
InChIInChI=1S/C17H20N4O2/c1-12-18-17(20-23-12)14-7-4-10-21(14)11-5-9-16-19-13-6-2-3-8-15(13)22-16/h2-3,6,8,14H,4-5,7,9-11H2,1H3
InChIKeyXQSXLFGYXNTERZ-UHFFFAOYSA-N
XLogP3.29
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole (CID 71934632) is 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole is Cc1nc(C2CCCN2CCCc2nc3ccccc3o2)no1.
What is the InChIKey of 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole?
The InChIKey is XQSXLFGYXNTERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-18-17(20-23-12)14-7-4-10-21(14)11-5-9-16-19-13-6-2-3-8-15(13)22-16/h2-3,6,8,14H,4-5,7,9-11H2,1H3.
What are the key properties of 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole?
2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole has a molecular weight of 312.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazole is sourced from PubChem (CID 71934632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).