6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine

C23H22N4O3 — CID 24883023

IUPAC6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOCc1ccc(-c2nnc(Cc3ccc(OCc4ccccc4)cc3)o2)c(N)n1
InChIInChI=1S/C23H22N4O3/c1-28-15-18-9-12-20(22(24)25-18)23-27-26-21(30-23)13-16-7-10-19(11-8-16)29-14-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H2,24,25)
InChIKeyZJUZRSKSUKMPBI-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.03
Rot. Bonds8

About 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine

6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 24883023) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID24883023
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOCc1ccc(-c2nnc(Cc3ccc(OCc4ccccc4)cc3)o2)c(N)n1
InChIInChI=1S/C23H22N4O3/c1-28-15-18-9-12-20(22(24)25-18)23-27-26-21(30-23)13-16-7-10-19(11-8-16)29-14-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H2,24,25)
InChIKeyZJUZRSKSUKMPBI-UHFFFAOYSA-N
XLogP4.03
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 24883023) is 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine is COCc1ccc(-c2nnc(Cc3ccc(OCc4ccccc4)cc3)o2)c(N)n1.
What is the InChIKey of 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is ZJUZRSKSUKMPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-28-15-18-9-12-20(22(24)25-18)23-27-26-21(30-23)13-16-7-10-19(11-8-16)29-14-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H2,24,25).
What are the key properties of 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 402.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 24883023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).