6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C22H25N3O4 — CID 155566642

IUPAC6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C22H25N3O4/c26-21(23-11-5-4-8-17-6-2-1-3-7-17)25-19-10-9-18(16-20(19)29-22(25)27)24-12-14-28-15-13-24/h1-3,6-7,9-10,16H,4-5,8,11-15H2,(H,23,26)
InChIKeyCQJVVHKLKHJTSE-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.01
Rot. Bonds6

About 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 155566642) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID155566642
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C22H25N3O4/c26-21(23-11-5-4-8-17-6-2-1-3-7-17)25-19-10-9-18(16-20(19)29-22(25)27)24-12-14-28-15-13-24/h1-3,6-7,9-10,16H,4-5,8,11-15H2,(H,23,26)
InChIKeyCQJVVHKLKHJTSE-UHFFFAOYSA-N
XLogP3.01
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 155566642) is 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is CQJVVHKLKHJTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(23-11-5-4-8-17-6-2-1-3-7-17)25-19-10-9-18(16-20(19)29-22(25)27)24-12-14-28-15-13-24/h1-3,6-7,9-10,16H,4-5,8,11-15H2,(H,23,26).
What are the key properties of 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155566642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).