[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine

C14H13N3O2 — CID 114822833

IUPAC[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
SMILESCc1cc(-c2nnc(C(N)c3ccccc3)o2)co1
InChIInChI=1S/C14H13N3O2/c1-9-7-11(8-18-9)13-16-17-14(19-13)12(15)10-5-3-2-4-6-10/h2-8,12H,15H2,1H3
InChIKeyLWYOCDNLUDNELH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.69
Rot. Bonds3

About [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine

[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine (PubChem CID 114822833) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine.

Molecular Properties

Compound Name[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
PubChem CID114822833
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
SMILESCc1cc(-c2nnc(C(N)c3ccccc3)o2)co1
InChIInChI=1S/C14H13N3O2/c1-9-7-11(8-18-9)13-16-17-14(19-13)12(15)10-5-3-2-4-6-10/h2-8,12H,15H2,1H3
InChIKeyLWYOCDNLUDNELH-UHFFFAOYSA-N
XLogP2.69
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The IUPAC name of [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine (CID 114822833) is [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine.
What is the SMILES notation for [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The canonical SMILES for [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine is Cc1cc(-c2nnc(C(N)c3ccccc3)o2)co1.
What is the InChIKey of [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The InChIKey is LWYOCDNLUDNELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-7-11(8-18-9)13-16-17-14(19-13)12(15)10-5-3-2-4-6-10/h2-8,12H,15H2,1H3.
What are the key properties of [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine has a molecular weight of 255.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine is sourced from PubChem (CID 114822833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).