5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole

C15H18N2O3 — CID 95265259

IUPAC5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(OC[C@@H]3CCCCO3)cc2)no1
InChIInChI=1S/C15H18N2O3/c1-11-16-15(17-20-11)12-5-7-13(8-6-12)19-10-14-4-2-3-9-18-14/h5-8,14H,2-4,9-10H2,1H3/t14-/m0/s1
InChIKeyOFNYTGFHYUQZDZ-AWEZNQCLSA-N
MW274.32 g/mol
LogP2.99
Rot. Bonds4

About 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole

5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 95265259) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
PubChem CID95265259
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(OC[C@@H]3CCCCO3)cc2)no1
InChIInChI=1S/C15H18N2O3/c1-11-16-15(17-20-11)12-5-7-13(8-6-12)19-10-14-4-2-3-9-18-14/h5-8,14H,2-4,9-10H2,1H3/t14-/m0/s1
InChIKeyOFNYTGFHYUQZDZ-AWEZNQCLSA-N
XLogP2.99
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine
CID 3327394
3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
5-[4-[4-(oxan-2-ylmethoxy)phenoxy]phenyl]-1H-pyrazole
CID 90314902
4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846599
N-(2-methylcyclohexyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208597
N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846758
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 42915833
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole (CID 95265259) is 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(OC[C@@H]3CCCCO3)cc2)no1.
What is the InChIKey of 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is OFNYTGFHYUQZDZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-16-15(17-20-11)12-5-7-13(8-6-12)19-10-14-4-2-3-9-18-14/h5-8,14H,2-4,9-10H2,1H3/t14-/m0/s1.
What are the key properties of 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole?
5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95265259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).