7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C25H24N4O2 — CID 167792029

IUPAC7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2ccc(-c3nc(Cc4ccc(OCc5cccnc5)cc4)no3)cc21
InChIInChI=1S/C25H24N4O2/c26-23-5-1-4-19-8-9-20(14-22(19)23)25-28-24(29-31-25)13-17-6-10-21(11-7-17)30-16-18-3-2-12-27-15-18/h2-3,6-12,14-15,23H,1,4-5,13,16,26H2
InChIKeyVVFGPPCHRWJPOO-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.64
Rot. Bonds6

About 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 167792029) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID167792029
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2ccc(-c3nc(Cc4ccc(OCc5cccnc5)cc4)no3)cc21
InChIInChI=1S/C25H24N4O2/c26-23-5-1-4-19-8-9-20(14-22(19)23)25-28-24(29-31-25)13-17-6-10-21(11-7-17)30-16-18-3-2-12-27-15-18/h2-3,6-12,14-15,23H,1,4-5,13,16,26H2
InChIKeyVVFGPPCHRWJPOO-UHFFFAOYSA-N
XLogP4.64
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 167792029) is 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2ccc(-c3nc(Cc4ccc(OCc5cccnc5)cc4)no3)cc21.
What is the InChIKey of 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VVFGPPCHRWJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c26-23-5-1-4-19-8-9-20(14-22(19)23)25-28-24(29-31-25)13-17-6-10-21(11-7-17)30-16-18-3-2-12-27-15-18/h2-3,6-12,14-15,23H,1,4-5,13,16,26H2.
What are the key properties of 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 412.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 167792029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).