2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole

C11H12N2O2 — CID 53017493

IUPAC2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C11H12N2O2/c1-8-5-3-4-6-9(8)11-13-12-10(15-11)7-14-2/h3-6H,7H2,1-2H3
InChIKeyBDQUDOBGUMJHSE-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.19
Rot. Bonds3

About 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole

2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 53017493) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID53017493
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C11H12N2O2/c1-8-5-3-4-6-9(8)11-13-12-10(15-11)7-14-2/h3-6H,7H2,1-2H3
InChIKeyBDQUDOBGUMJHSE-UHFFFAOYSA-N
XLogP2.19
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655669
2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656446
2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 53017537
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55044443
2,6-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652104
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
2,4-dimethoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652051
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine
CID 110652106
2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 15957134

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 53017493) is 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole is COCc1nnc(-c2ccccc2C)o1.
What is the InChIKey of 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is BDQUDOBGUMJHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-5-3-4-6-9(8)11-13-12-10(15-11)7-14-2/h3-6H,7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53017493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).