2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

C30H33ClN2O3 — CID 17336021

About 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 17336021) has the molecular formula C30H33ClN2O3 and a molecular weight of 505.06 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
• PubChem CID: 17336021
• Molecular Formula: C30H33ClN2O3
• Molecular Weight: 505.06 g/mol
• Exact Mass: 504.22
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
• SMILES: CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)c3)nc2c1
• InChI: InChI=1S/C30H33ClN2O3/c1-18(2)19-9-15-26-25(16-19)32-27(35-26)20-8-14-23(31)24(17-20)33-28(34)30(6,7)36-22-12-10-21(11-13-22)29(3,4)5/h8-18H,1-7H3,(H,33,34)
• InChIKey: LTASYEGESRRIOK-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.06
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (CID 17336021) is 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)c3)nc2c1.

What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?

The InChIKey is LTASYEGESRRIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O3/c1-18(2)19-9-15-26-25(16-19)32-27(35-26)20-8-14-23(31)24(17-20)33-28(34)30(6,7)36-22-12-10-21(11-13-22)29(3,4)5/h8-18H,1-7H3,(H,33,34).

What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?

2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 505.06 g/mol, XLogP of 8.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 17336021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).