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

C24H22N4O2 — CID 11545753

IUPAC5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C3CC3)cc2)o1
InChIInChI=1S/C24H22N4O2/c25-24-28-27-23(30-24)19-8-6-17(7-9-19)22(16-4-5-16)18-10-12-21(13-11-18)29-15-20-3-1-2-14-26-20/h1-3,6-14,16,22H,4-5,15H2,(H2,25,28)
InChIKeyFOQIVEVHUNPCOK-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.83
Rot. Bonds7

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

5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11545753) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID11545753
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C3CC3)cc2)o1
InChIInChI=1S/C24H22N4O2/c25-24-28-27-23(30-24)19-8-6-17(7-9-19)22(16-4-5-16)18-10-12-21(13-11-18)29-15-20-3-1-2-14-26-20/h1-3,6-14,16,22H,4-5,15H2,(H2,25,28)
InChIKeyFOQIVEVHUNPCOK-UHFFFAOYSA-N
XLogP4.83
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
CID 11711628
5-[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,3,4-oxadiazol-2-amine
CID 58095640
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 91682556
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 102420099
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 59416740
5-[4-[(1R,2R)-2-[4-[(2-aminophenyl)methoxy]phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,3,4-oxadiazol-2-amine
CID 25260881
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
5-[4-[(1S,2S,4R)-2-[4-(2-pyridin-2-ylethyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,3,4-oxadiazol-2-amine
CID 66864726

Frequently Asked Questions

What is the IUPAC name of 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine (CID 11545753) is 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C3CC3)cc2)o1.
What is the InChIKey of 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FOQIVEVHUNPCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c25-24-28-27-23(30-24)19-8-6-17(7-9-19)22(16-4-5-16)18-10-12-21(13-11-18)29-15-20-3-1-2-14-26-20/h1-3,6-14,16,22H,4-5,15H2,(H2,25,28).
What are the key properties of 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine?
5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 398.47 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[cyclopropyl-[4-(pyridin-2-ylmethoxy)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11545753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).