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

C17H23N3O3 — CID 51082256

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NCCCCN1CCOCC1
InChIInChI=1S/C17H23N3O3/c21-17(13-15-14-5-1-2-6-16(14)23-19-15)18-7-3-4-8-20-9-11-22-12-10-20/h1-2,5-6H,3-4,7-13H2,(H,18,21)
InChIKeyZDSXWWDVFVBDSR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.60
Rot. Bonds7

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

2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide (PubChem CID 51082256) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide
PubChem CID51082256
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NCCCCN1CCOCC1
InChIInChI=1S/C17H23N3O3/c21-17(13-15-14-5-1-2-6-16(14)23-19-15)18-7-3-4-8-20-9-11-22-12-10-20/h1-2,5-6H,3-4,7-13H2,(H,18,21)
InChIKeyZDSXWWDVFVBDSR-UHFFFAOYSA-N
XLogP1.60
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680
2-(1,2-benzoxazol-3-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394354
2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 22519759
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 108792020
2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 157013975
N-(4-azidobutyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 106386734
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144929
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134029509

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide (CID 51082256) is 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide is O=C(Cc1noc2ccccc12)NCCCCN1CCOCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide?
The InChIKey is ZDSXWWDVFVBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(13-15-14-5-1-2-6-16(14)23-19-15)18-7-3-4-8-20-9-11-22-12-10-20/h1-2,5-6H,3-4,7-13H2,(H,18,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.60, 7 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-(4-morpholin-4-ylbutyl)acetamide is sourced from PubChem (CID 51082256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).