5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C19H18N2O3 — CID 99564463

IUPAC5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(C[C@H]2CCOc3ccccc32)n1
InChIInChI=1S/C19H18N2O3/c1-22-16-8-4-3-7-15(16)19-20-18(24-21-19)12-13-10-11-23-17-9-5-2-6-14(13)17/h2-9,13H,10-12H2,1H3/t13-/m1/s1
InChIKeyGSJPMJBLPXIWBI-CYBMUJFWSA-N
MW322.36 g/mol
LogP3.85
Rot. Bonds4

About 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 99564463) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID99564463
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(C[C@H]2CCOc3ccccc32)n1
InChIInChI=1S/C19H18N2O3/c1-22-16-8-4-3-7-15(16)19-20-18(24-21-19)12-13-10-11-23-17-9-5-2-6-14(13)17/h2-9,13H,10-12H2,1H3/t13-/m1/s1
InChIKeyGSJPMJBLPXIWBI-CYBMUJFWSA-N
XLogP3.85
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 99564463) is 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(C[C@H]2CCOc3ccccc32)n1.
What is the InChIKey of 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GSJPMJBLPXIWBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-22-16-8-4-3-7-15(16)19-20-18(24-21-19)12-13-10-11-23-17-9-5-2-6-14(13)17/h2-9,13H,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 322.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 99564463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).