4-(4-ethylphenyl)-3-methyl-1,2-oxazole

C12H13NO — CID 89297877

IUPAC4-(4-ethylphenyl)-3-methyl-1,2-oxazole
SMILESCCc1ccc(-c2conc2C)cc1
InChIInChI=1S/C12H13NO/c1-3-10-4-6-11(7-5-10)12-8-14-13-9(12)2/h4-8H,3H2,1-2H3
InChIKeyMXWPYPQSFSBBDN-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.21
Rot. Bonds2

About 4-(4-ethylphenyl)-3-methyl-1,2-oxazole

4-(4-ethylphenyl)-3-methyl-1,2-oxazole (PubChem CID 89297877) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-3-methyl-1,2-oxazole
PubChem CID89297877
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(4-ethylphenyl)-3-methyl-1,2-oxazole
SMILESCCc1ccc(-c2conc2C)cc1
InChIInChI=1S/C12H13NO/c1-3-10-4-6-11(7-5-10)12-8-14-13-9(12)2/h4-8H,3H2,1-2H3
InChIKeyMXWPYPQSFSBBDN-UHFFFAOYSA-N
XLogP3.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 4-(4-ethylphenyl)-3-methyl-1,2-oxazole (CID 89297877) is 4-(4-ethylphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-(4-ethylphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 4-(4-ethylphenyl)-3-methyl-1,2-oxazole is CCc1ccc(-c2conc2C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-3-methyl-1,2-oxazole?
The InChIKey is MXWPYPQSFSBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-10-4-6-11(7-5-10)12-8-14-13-9(12)2/h4-8H,3H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-3-methyl-1,2-oxazole?
4-(4-ethylphenyl)-3-methyl-1,2-oxazole has a molecular weight of 187.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 89297877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).