3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole

C20H20N2O3 — CID 97443860

IUPAC3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(COc2ccccc2Cc2nc([C@@H]3CCOC3)no2)cc1
InChIInChI=1S/C20H20N2O3/c1-2-6-15(7-3-1)13-24-18-9-5-4-8-16(18)12-19-21-20(22-25-19)17-10-11-23-14-17/h1-9,17H,10-14H2/t17-/m1/s1
InChIKeyNRHGGCHQYCPHDU-QGZVFWFLSA-N
MW336.39 g/mol
LogP3.74
Rot. Bonds6

About 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole

3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 97443860) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID97443860
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(COc2ccccc2Cc2nc([C@@H]3CCOC3)no2)cc1
InChIInChI=1S/C20H20N2O3/c1-2-6-15(7-3-1)13-24-18-9-5-4-8-16(18)12-19-21-20(22-25-19)17-10-11-23-14-17/h1-9,17H,10-14H2/t17-/m1/s1
InChIKeyNRHGGCHQYCPHDU-QGZVFWFLSA-N
XLogP3.74
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443640
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65329458
5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 71971359
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
3-(2-methoxyphenyl)-5-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
CID 97443372
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole (CID 97443860) is 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole is c1ccc(COc2ccccc2Cc2nc([C@@H]3CCOC3)no2)cc1.
What is the InChIKey of 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is NRHGGCHQYCPHDU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-6-15(7-3-1)13-24-18-9-5-4-8-16(18)12-19-21-20(22-25-19)17-10-11-23-14-17/h1-9,17H,10-14H2/t17-/m1/s1.
What are the key properties of 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole?
3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 336.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97443860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).