4-(4-propan-2-ylphenyl)-1,3-oxazole

C12H13NO — CID 67808290

IUPAC4-(4-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)c1ccc(-c2cocn2)cc1
InChIInChI=1S/C12H13NO/c1-9(2)10-3-5-11(6-4-10)12-7-14-8-13-12/h3-9H,1-2H3
InChIKeyTXGAWRAFDXWVAT-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-propan-2-ylphenyl)-1,3-oxazole

4-(4-propan-2-ylphenyl)-1,3-oxazole (PubChem CID 67808290) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-1,3-oxazole
PubChem CID67808290
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(4-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)c1ccc(-c2cocn2)cc1
InChIInChI=1S/C12H13NO/c1-9(2)10-3-5-11(6-4-10)12-7-14-8-13-12/h3-9H,1-2H3
InChIKeyTXGAWRAFDXWVAT-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 4-(4-propan-2-ylphenyl)-1,3-oxazole (CID 67808290) is 4-(4-propan-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-1,3-oxazole is CC(C)c1ccc(-c2cocn2)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-1,3-oxazole?
The InChIKey is TXGAWRAFDXWVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9(2)10-3-5-11(6-4-10)12-7-14-8-13-12/h3-9H,1-2H3.
What are the key properties of 4-(4-propan-2-ylphenyl)-1,3-oxazole?
4-(4-propan-2-ylphenyl)-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 67808290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).