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

C13H16N2O2 — CID 60721266

IUPAC5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1nc(C(C)C)no1
InChIInChI=1S/C13H16N2O2/c1-9(2)13-14-12(17-15-13)8-16-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChIKeyAOIWGJQVEPYBGQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.08
Rot. Bonds4

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

5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 60721266) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID60721266
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1nc(C(C)C)no1
InChIInChI=1S/C13H16N2O2/c1-9(2)13-14-12(17-15-13)8-16-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChIKeyAOIWGJQVEPYBGQ-UHFFFAOYSA-N
XLogP3.08
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-amine
CID 78933043
[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320682
(1R)-1-[4-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63650708
(1R)-1-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78933395
2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63326402
1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 112724022
[3,5-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495368
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495251
1-[3-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495332
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81445973
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 54930891

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 60721266) is 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1ccccc1OCc1nc(C(C)C)no1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is AOIWGJQVEPYBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)13-14-12(17-15-13)8-16-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 232.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60721266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).