4-[4-(2-methylpropyl)phenyl]-1,3-oxazole

C13H15NO — CID 82126003

IUPAC4-[4-(2-methylpropyl)phenyl]-1,3-oxazole
SMILESCC(C)Cc1ccc(-c2cocn2)cc1
InChIInChI=1S/C13H15NO/c1-10(2)7-11-3-5-12(6-4-11)13-8-15-9-14-13/h3-6,8-10H,7H2,1-2H3
InChIKeyCLXJHSIMHAKKFZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.54
Rot. Bonds3

About 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole

4-[4-(2-methylpropyl)phenyl]-1,3-oxazole (PubChem CID 82126003) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)phenyl]-1,3-oxazole
PubChem CID82126003
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-[4-(2-methylpropyl)phenyl]-1,3-oxazole
SMILESCC(C)Cc1ccc(-c2cocn2)cc1
InChIInChI=1S/C13H15NO/c1-10(2)7-11-3-5-12(6-4-11)13-8-15-9-14-13/h3-6,8-10H,7H2,1-2H3
InChIKeyCLXJHSIMHAKKFZ-UHFFFAOYSA-N
XLogP3.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-1,3-oxazole
CID 589279
(Z)-1-(4-phenyloxazol-2-yl)octadec-9-en-1-one
CID 10070106
4-(2''-(Trifluoromethyl)biphenyl-3-yl)oxazole
CID 11460438
(1R,2R,3R)-N-hydroxy-2-[4-(1,3-oxazol-4-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 76324877
4-(4-Methoxyphenyl)-1,3-oxazole
CID 12463139
Oxazole, 2-methyl-4-phenyl-
CID 88639
4-Phenyl-1,3-oxazol-2-amine
CID 520605
2-Iodo-4-phenyl-1,3-oxazole
CID 45142327
4-(4-Butoxyphenyl)-1,3-oxazole
CID 11287393
2-Methyl-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole
CID 162646494
2-Methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
CID 162649510
2-Methyl-4-(4-phenylphenyl)-1,3-oxazole
CID 162644777

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole (CID 82126003) is 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole is CC(C)Cc1ccc(-c2cocn2)cc1.
What is the InChIKey of 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole?
The InChIKey is CLXJHSIMHAKKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(2)7-11-3-5-12(6-4-11)13-8-15-9-14-13/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole?
4-[4-(2-methylpropyl)phenyl]-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 82126003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).