N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide

C23H27N3O3 — CID 5275503

IUPACN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
SMILESCC(C)(C)c1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1
InChIInChI=1S/C23H27N3O3/c1-23(2,3)17-6-4-16(5-7-17)22-25-19-14-18(8-9-20(19)29-22)24-21(27)15-26-10-12-28-13-11-26/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyVULTVHOHGHSYFE-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide (PubChem CID 5275503) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
PubChem CID5275503
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
SMILESCC(C)(C)c1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1
InChIInChI=1S/C23H27N3O3/c1-23(2,3)17-6-4-16(5-7-17)22-25-19-14-18(8-9-20(19)29-22)24-21(27)15-26-10-12-28-13-11-26/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyVULTVHOHGHSYFE-UHFFFAOYSA-N
XLogP4.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide (CID 5275503) is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide is CC(C)(C)c1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The InChIKey is VULTVHOHGHSYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-23(2,3)17-6-4-16(5-7-17)22-25-19-14-18(8-9-20(19)29-22)24-21(27)15-26-10-12-28-13-11-26/h4-9,14H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide has a molecular weight of 393.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5275503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).