4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol

C12H13NO3 — CID 53220724

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
SMILESCOc1cc(-c2c(C)noc2C)ccc1O
InChIInChI=1S/C12H13NO3/c1-7-12(8(2)16-13-7)9-4-5-10(14)11(6-9)15-3/h4-6,14H,1-3H3
InChIKeySZVIGDFDZJQXST-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.67
Rot. Bonds2

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol

4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol (PubChem CID 53220724) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
PubChem CID53220724
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
SMILESCOc1cc(-c2c(C)noc2C)ccc1O
InChIInChI=1S/C12H13NO3/c1-7-12(8(2)16-13-7)9-4-5-10(14)11(6-9)15-3/h4-6,14H,1-3H3
InChIKeySZVIGDFDZJQXST-UHFFFAOYSA-N
XLogP2.67
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
7-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalen-1-ol
CID 155969514
4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 135650271
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
CID 101483431
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol
CID 71290976

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol (CID 53220724) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol is COc1cc(-c2c(C)noc2C)ccc1O.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol?
The InChIKey is SZVIGDFDZJQXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-12(8(2)16-13-7)9-4-5-10(14)11(6-9)15-3/h4-6,14H,1-3H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol has a molecular weight of 219.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol is sourced from PubChem (CID 53220724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).