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

C15H19N3O3 — CID 22519680

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NCCN1CCOCC1
InChIInChI=1S/C15H19N3O3/c19-15(16-5-6-18-7-9-20-10-8-18)11-13-12-3-1-2-4-14(12)21-17-13/h1-4H,5-11H2,(H,16,19)
InChIKeyDSFHMXYUFPNCKA-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.82
Rot. Bonds5

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

2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 22519680) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID22519680
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NCCN1CCOCC1
InChIInChI=1S/C15H19N3O3/c19-15(16-5-6-18-7-9-20-10-8-18)11-13-12-3-1-2-4-14(12)21-17-13/h1-4H,5-11H2,(H,16,19)
InChIKeyDSFHMXYUFPNCKA-UHFFFAOYSA-N
XLogP0.82
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 22519680) is 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide is O=C(Cc1noc2ccccc12)NCCN1CCOCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is DSFHMXYUFPNCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-15(16-5-6-18-7-9-20-10-8-18)11-13-12-3-1-2-4-14(12)21-17-13/h1-4H,5-11H2,(H,16,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 22519680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).