2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine

C22H28N2O — CID 134873544

IUPAC2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine
SMILESCC(C)=C1ON(C(C)(C)C)C(c2ccccc2)N1c1ccc(C)cc1
InChIInChI=1S/C22H28N2O/c1-16(2)21-23(19-14-12-17(3)13-15-19)20(18-10-8-7-9-11-18)24(25-21)22(4,5)6/h7-15,20H,1-6H3
InChIKeyHJMVCQWKMZAUCW-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.80
Rot. Bonds2

About 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine

2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine (PubChem CID 134873544) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine.

Molecular Properties

Compound Name2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine
PubChem CID134873544
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine
SMILESCC(C)=C1ON(C(C)(C)C)C(c2ccccc2)N1c1ccc(C)cc1
InChIInChI=1S/C22H28N2O/c1-16(2)21-23(19-14-12-17(3)13-15-19)20(18-10-8-7-9-11-18)24(25-21)22(4,5)6/h7-15,20H,1-6H3
InChIKeyHJMVCQWKMZAUCW-UHFFFAOYSA-N
XLogP5.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine?
The IUPAC name of 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine (CID 134873544) is 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine.
What is the SMILES notation for 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine?
The canonical SMILES for 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine is CC(C)=C1ON(C(C)(C)C)C(c2ccccc2)N1c1ccc(C)cc1.
What is the InChIKey of 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine?
The InChIKey is HJMVCQWKMZAUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16(2)21-23(19-14-12-17(3)13-15-19)20(18-10-8-7-9-11-18)24(25-21)22(4,5)6/h7-15,20H,1-6H3.
What are the key properties of 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine?
2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine has a molecular weight of 336.48 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine is sourced from PubChem (CID 134873544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).