5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole

C14H17N3O2 — CID 86820506

IUPAC5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(C3CCNC3)no2)cc1
InChIInChI=1S/C14H17N3O2/c1-10-2-4-12(5-3-10)18-9-13-16-14(17-19-13)11-6-7-15-8-11/h2-5,11,15H,6-9H2,1H3
InChIKeySIWMTSDKSOPALY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.03
Rot. Bonds4

About 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole

5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 86820506) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID86820506
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(C3CCNC3)no2)cc1
InChIInChI=1S/C14H17N3O2/c1-10-2-4-12(5-3-10)18-9-13-16-14(17-19-13)11-6-7-15-8-11/h2-5,11,15H,6-9H2,1H3
InChIKeySIWMTSDKSOPALY-UHFFFAOYSA-N
XLogP2.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 86820506) is 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole is Cc1ccc(OCc2nc(C3CCNC3)no2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is SIWMTSDKSOPALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-2-4-12(5-3-10)18-9-13-16-14(17-19-13)11-6-7-15-8-11/h2-5,11,15H,6-9H2,1H3.
What are the key properties of 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).