2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C18H25N3O3 — CID 108792020

IUPAC2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc2onc(CC(=O)NCCCN3CCOCC3)c2cc1C
InChIInChI=1S/C18H25N3O3/c1-13-10-15-16(20-24-17(15)11-14(13)2)12-18(22)19-4-3-5-21-6-8-23-9-7-21/h10-11H,3-9,12H2,1-2H3,(H,19,22)
InChIKeyBTURJDLURWFCJA-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.83
Rot. Bonds6

About 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 108792020) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID108792020
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc2onc(CC(=O)NCCCN3CCOCC3)c2cc1C
InChIInChI=1S/C18H25N3O3/c1-13-10-15-16(20-24-17(15)11-14(13)2)12-18(22)19-4-3-5-21-6-8-23-9-7-21/h10-11H,3-9,12H2,1-2H3,(H,19,22)
InChIKeyBTURJDLURWFCJA-UHFFFAOYSA-N
XLogP1.83
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.83
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-(4-morpholin-4-ylbutyl)acetamide
CID 51082256
2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18871958
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108792078
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(1,2-benzoxazol-3-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394354
2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18872336
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 108792020) is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cc2onc(CC(=O)NCCCN3CCOCC3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is BTURJDLURWFCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-10-15-16(20-24-17(15)11-14(13)2)12-18(22)19-4-3-5-21-6-8-23-9-7-21/h10-11H,3-9,12H2,1-2H3,(H,19,22).
What are the key properties of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 108792020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).