2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole

C12H13NO2 — CID 117192249

IUPAC2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
SMILESCc1cccc(OCc2cnc(C)o2)c1
InChIInChI=1S/C12H13NO2/c1-9-4-3-5-11(6-9)14-8-12-7-13-10(2)15-12/h3-7H,8H2,1-2H3
InChIKeyCYLOKYPZJQMVEL-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.87
Rot. Bonds3

About 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole

2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole (PubChem CID 117192249) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
PubChem CID117192249
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
SMILESCc1cccc(OCc2cnc(C)o2)c1
InChIInChI=1S/C12H13NO2/c1-9-4-3-5-11(6-9)14-8-12-7-13-10(2)15-12/h3-7H,8H2,1-2H3
InChIKeyCYLOKYPZJQMVEL-UHFFFAOYSA-N
XLogP2.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
CID 64764360
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
3-[(2-amino-1,3-oxazol-5-yl)methoxy]phenol
CID 117192267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole (CID 117192249) is 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole is Cc1cccc(OCc2cnc(C)o2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole?
The InChIKey is CYLOKYPZJQMVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-4-3-5-11(6-9)14-8-12-7-13-10(2)15-12/h3-7H,8H2,1-2H3.
What are the key properties of 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole?
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole has a molecular weight of 203.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 117192249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).