4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline

C13H16N4O2 — CID 82484539

IUPAC4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1ccc(N)cc1-c1nnc(N2CCCC2)o1
InChIInChI=1S/C13H16N4O2/c1-18-11-5-4-9(14)8-10(11)12-15-16-13(19-12)17-6-2-3-7-17/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyMRWSACWHCNSWET-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.93
Rot. Bonds3

About 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline

4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 82484539) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID82484539
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1ccc(N)cc1-c1nnc(N2CCCC2)o1
InChIInChI=1S/C13H16N4O2/c1-18-11-5-4-9(14)8-10(11)12-15-16-13(19-12)17-6-2-3-7-17/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyMRWSACWHCNSWET-UHFFFAOYSA-N
XLogP1.93
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline (CID 82484539) is 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline is COc1ccc(N)cc1-c1nnc(N2CCCC2)o1.
What is the InChIKey of 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MRWSACWHCNSWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-18-11-5-4-9(14)8-10(11)12-15-16-13(19-12)17-6-2-3-7-17/h4-5,8H,2-3,6-7,14H2,1H3.
What are the key properties of 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 260.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 82484539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).