methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

C15H17NO4 — CID 114371735

IUPACmethyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(-c2cc(C)ccc2C)oc1C(=O)OC
InChIInChI=1S/C15H17NO4/c1-9-5-6-10(2)11(7-9)14-16-12(8-18-3)13(20-14)15(17)19-4/h5-7H,8H2,1-4H3
InChIKeyYWVGCMGHEOUTIZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.89
Rot. Bonds4

About methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (PubChem CID 114371735) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
PubChem CID114371735
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(-c2cc(C)ccc2C)oc1C(=O)OC
InChIInChI=1S/C15H17NO4/c1-9-5-6-10(2)11(7-9)14-16-12(8-18-3)13(20-14)15(17)19-4/h5-7H,8H2,1-4H3
InChIKeyYWVGCMGHEOUTIZ-UHFFFAOYSA-N
XLogP2.89
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-tert-butyl-2-(2,5-dimethylphenyl)-1,3-oxazole-5-carboxylate
CID 114370843
methyl 2-(2,4-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371700
4-(methoxymethyl)-2-(5-methyl-2-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 114373878
methyl 2-(3,4-difluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371667
methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371640
ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
CID 104842583
2-(3-chloro-4-methylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373845
4-(methoxymethyl)-2-(2-methyl-4-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 114373942
methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371759
2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373867
methyl 4-tert-butyl-2-(2-chloro-4-methylphenyl)-1,3-oxazole-5-carboxylate
CID 106864476
4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114374014

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (CID 114371735) is methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is COCc1nc(-c2cc(C)ccc2C)oc1C(=O)OC.
What is the InChIKey of methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is YWVGCMGHEOUTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-5-6-10(2)11(7-9)14-16-12(8-18-3)13(20-14)15(17)19-4/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).