4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole

C12H13NO2 — CID 14949922

IUPAC4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C12H13NO2/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10/h4-7H,1-3H3
InChIKeyXVZXDUIOWVOYFG-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.97
Rot. Bonds2

About 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole

4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole (PubChem CID 14949922) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
PubChem CID14949922
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C12H13NO2/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10/h4-7H,1-3H3
InChIKeyXVZXDUIOWVOYFG-UHFFFAOYSA-N
XLogP2.97
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole (CID 14949922) is 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole is COc1ccc(-c2nc(C)oc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole?
The InChIKey is XVZXDUIOWVOYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10/h4-7H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole?
4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole has a molecular weight of 203.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 14949922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).