5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C16H20N2O3 — CID 72869096

IUPAC5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cccc(OC(C)(C)c2nc(C3CCOC3)no2)c1
InChIInChI=1S/C16H20N2O3/c1-11-5-4-6-13(9-11)20-16(2,3)15-17-14(18-21-15)12-7-8-19-10-12/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyPXLLSPVRCZUZFR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.20
Rot. Bonds4

About 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72869096) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72869096
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cccc(OC(C)(C)c2nc(C3CCOC3)no2)c1
InChIInChI=1S/C16H20N2O3/c1-11-5-4-6-13(9-11)20-16(2,3)15-17-14(18-21-15)12-7-8-19-10-12/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyPXLLSPVRCZUZFR-UHFFFAOYSA-N
XLogP3.20
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72899686
5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437812
3-(3-methylphenyl)-5-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
CID 72846499
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
3-(3-methylphenyl)-5-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
CID 97434740
5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72914270
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(2,6-difluoro-4-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72918816
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437360
6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 97438027

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72869096) is 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1cccc(OC(C)(C)c2nc(C3CCOC3)no2)c1.
What is the InChIKey of 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is PXLLSPVRCZUZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-5-4-6-13(9-11)20-16(2,3)15-17-14(18-21-15)12-7-8-19-10-12/h4-6,9,12H,7-8,10H2,1-3H3.
What are the key properties of 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72869096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).