5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C23H21N3O3 — CID 95716077

IUPAC5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCO[C@@H](C)c1cccc(-c2ccc(-c3nc(COc4ccccc4)no3)cn2)c1
InChIInChI=1S/C23H21N3O3/c1-16(27-2)17-7-6-8-18(13-17)21-12-11-19(14-24-21)23-25-22(26-29-23)15-28-20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3/t16-/m0/s1
InChIKeyALOMIJPOKZZMIF-INIZCTEOSA-N
MW387.44 g/mol
LogP5.09
Rot. Bonds7

About 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 95716077) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID95716077
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCO[C@@H](C)c1cccc(-c2ccc(-c3nc(COc4ccccc4)no3)cn2)c1
InChIInChI=1S/C23H21N3O3/c1-16(27-2)17-7-6-8-18(13-17)21-12-11-19(14-24-21)23-25-22(26-29-23)15-28-20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3/t16-/m0/s1
InChIKeyALOMIJPOKZZMIF-INIZCTEOSA-N
XLogP5.09
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 26329906
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 28685485
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 26409598

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 95716077) is 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is CO[C@@H](C)c1cccc(-c2ccc(-c3nc(COc4ccccc4)no3)cn2)c1.
What is the InChIKey of 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is ALOMIJPOKZZMIF-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(27-2)17-7-6-8-18(13-17)21-12-11-19(14-24-21)23-25-22(26-29-23)15-28-20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3/t16-/m0/s1.
What are the key properties of 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 95716077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).