3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane

C14H19NO — CID 142046789

IUPAC3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
SMILESCC.Cc1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C12H13NO.C2H6/c1-8-4-6-11(7-5-8)12-9(2)13-14-10(12)3;1-2/h4-7H,1-3H3;1-2H3
InChIKeyWEZXVFHLKXSXDW-UHFFFAOYSA-N
MW217.31 g/mol
LogP4.29
Rot. Bonds1

About 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane

3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane (PubChem CID 142046789) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
PubChem CID142046789
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
SMILESCC.Cc1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C12H13NO.C2H6/c1-8-4-6-11(7-5-8)12-9(2)13-14-10(12)3;1-2/h4-7H,1-3H3;1-2H3
InChIKeyWEZXVFHLKXSXDW-UHFFFAOYSA-N
XLogP4.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone
CID 131513513
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
CID 110669886

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane?
The IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane (CID 142046789) is 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane.
What is the SMILES notation for 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane?
The canonical SMILES for 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane is CC.Cc1ccc(-c2c(C)noc2C)cc1.
What is the InChIKey of 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane?
The InChIKey is WEZXVFHLKXSXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C2H6/c1-8-4-6-11(7-5-8)12-9(2)13-14-10(12)3;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane?
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane has a molecular weight of 217.31 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane is sourced from PubChem (CID 142046789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).