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

C14H12N4O2 — CID 91682556

IUPAC5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3cccnc3)cc2)o1
InChIInChI=1S/C14H12N4O2/c15-14-18-17-13(20-14)11-3-5-12(6-4-11)19-9-10-2-1-7-16-8-10/h1-8H,9H2,(H2,15,18)
InChIKeyGXDLQPHBLACCLV-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.29
Rot. Bonds4

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

5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91682556) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91682556
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3cccnc3)cc2)o1
InChIInChI=1S/C14H12N4O2/c15-14-18-17-13(20-14)11-3-5-12(6-4-11)19-9-10-2-1-7-16-8-10/h1-8H,9H2,(H2,15,18)
InChIKeyGXDLQPHBLACCLV-UHFFFAOYSA-N
XLogP2.29
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;hydrobromide
CID 68679658
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
CID 11711628
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 3169936
5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 102420099
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
CID 82245169

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine (CID 91682556) is 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(OCc3cccnc3)cc2)o1.
What is the InChIKey of 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GXDLQPHBLACCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-14-18-17-13(20-14)11-3-5-12(6-4-11)19-9-10-2-1-7-16-8-10/h1-8H,9H2,(H2,15,18).
What are the key properties of 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 268.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91682556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).