2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide

C23H21N3O3 — CID 25211123

IUPAC2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C23H21N3O3/c27-22(15-26-9-11-28-12-10-26)24-19-7-8-21-20(14-19)25-23(29-21)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13-14H,9-12,15H2,(H,24,27)
InChIKeyKNKZSYFUQBZEMI-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.92
Rot. Bonds4

About 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide

2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 25211123) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID25211123
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C23H21N3O3/c27-22(15-26-9-11-28-12-10-26)24-19-7-8-21-20(14-19)25-23(29-21)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13-14H,9-12,15H2,(H,24,27)
InChIKeyKNKZSYFUQBZEMI-UHFFFAOYSA-N
XLogP3.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide (CID 25211123) is 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide is O=C(CN1CCOCC1)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is KNKZSYFUQBZEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(15-26-9-11-28-12-10-26)24-19-7-8-21-20(14-19)25-23(29-21)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13-14H,9-12,15H2,(H,24,27).
What are the key properties of 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide?
2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 25211123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).