2-tert-butyl-4-phenyl-1,3-oxazole

C13H15NO — CID 15371609

IUPAC2-tert-butyl-4-phenyl-1,3-oxazole
SMILESCC(C)(C)c1nc(-c2ccccc2)co1
InChIInChI=1S/C13H15NO/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyCJQRGLQRPIPEFG-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.64
Rot. Bonds1

About 2-tert-butyl-4-phenyl-1,3-oxazole

2-tert-butyl-4-phenyl-1,3-oxazole (PubChem CID 15371609) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-phenyl-1,3-oxazole
PubChem CID15371609
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-tert-butyl-4-phenyl-1,3-oxazole
SMILESCC(C)(C)c1nc(-c2ccccc2)co1
InChIInChI=1S/C13H15NO/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyCJQRGLQRPIPEFG-UHFFFAOYSA-N
XLogP3.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenyloxazole
CID 168750
4-Phenyl-1,3-oxazole
CID 589279
5-Methyl-4-phenyl-1,3-oxazole-2-carboxamide
CID 2739606
(Z)-1-(4-phenyloxazol-2-yl)octadec-9-en-1-one
CID 10070106
3-[4-[3,5-Bis(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]propanoic acid
CID 18953957
1-(4-Methyloxazol-2-yl)-7-phenylheptan-1-one
CID 44554442
7-Phenyl-1-(4-phenyloxazol-2-yl)heptan-1-one
CID 44554614
2-Amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 71487023
[2-Amino-2-(hydroxymethyl)-4-[4-(2-pentyl-1,3-oxazol-4-yl)phenyl]butyl] dihydrogen phosphate
CID 118716157
Ethyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 571056
4-Methyl-2-phenyl-1,3-oxazole
CID 594333
2-Amino-2-(2-(4'-(2-propyloxazol-4-yl)-(1,1'-biphenyl)-4-yl)ethyl)propane-1,3-diol
CID 71487030

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-phenyl-1,3-oxazole (CID 15371609) is 2-tert-butyl-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-phenyl-1,3-oxazole is CC(C)(C)c1nc(-c2ccccc2)co1.
What is the InChIKey of 2-tert-butyl-4-phenyl-1,3-oxazole?
The InChIKey is CJQRGLQRPIPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-4-phenyl-1,3-oxazole?
2-tert-butyl-4-phenyl-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-phenyl-1,3-oxazole is sourced from PubChem (CID 15371609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).