5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

C15H17N5O3 — CID 100672769

IUPAC5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1nc(COc2ccc(-c3nnc(N)o3)cc2)no1
InChIInChI=1S/C15H17N5O3/c1-15(2,3)13-17-11(20-23-13)8-21-10-6-4-9(5-7-10)12-18-19-14(16)22-12/h4-7H,8H2,1-3H3,(H2,16,19)
InChIKeyPNWOSQAYUHNARX-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.58
Rot. Bonds4

About 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 100672769) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID100672769
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1nc(COc2ccc(-c3nnc(N)o3)cc2)no1
InChIInChI=1S/C15H17N5O3/c1-15(2,3)13-17-11(20-23-13)8-21-10-6-4-9(5-7-10)12-18-19-14(16)22-12/h4-7H,8H2,1-3H3,(H2,16,19)
InChIKeyPNWOSQAYUHNARX-UHFFFAOYSA-N
XLogP2.58
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (CID 100672769) is 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)c1nc(COc2ccc(-c3nnc(N)o3)cc2)no1.
What is the InChIKey of 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PNWOSQAYUHNARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-15(2,3)13-17-11(20-23-13)8-21-10-6-4-9(5-7-10)12-18-19-14(16)22-12/h4-7H,8H2,1-3H3,(H2,16,19).
What are the key properties of 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 315.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 100672769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).