2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole

C17H23NO — CID 59026488

IUPAC2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
SMILESCCCc1nc(-c2ccc(C(C)(C)C)cc2)oc1C
InChIInChI=1S/C17H23NO/c1-6-7-15-12(2)19-16(18-15)13-8-10-14(11-9-13)17(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyQAECSEGACXWUPP-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.90
Rot. Bonds3

About 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole

2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole (PubChem CID 59026488) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
PubChem CID59026488
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
SMILESCCCc1nc(-c2ccc(C(C)(C)C)cc2)oc1C
InChIInChI=1S/C17H23NO/c1-6-7-15-12(2)19-16(18-15)13-8-10-14(11-9-13)17(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyQAECSEGACXWUPP-UHFFFAOYSA-N
XLogP4.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole (CID 59026488) is 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole is CCCc1nc(-c2ccc(C(C)(C)C)cc2)oc1C.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole?
The InChIKey is QAECSEGACXWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-6-7-15-12(2)19-16(18-15)13-8-10-14(11-9-13)17(3,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole?
2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole has a molecular weight of 257.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole is sourced from PubChem (CID 59026488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).