N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide

C16H23N3O4 — CID 54455379

IUPACN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide
SMILESCN1c2ccc(O)cc2OC1CCNC(=O)CN1CCOCC1
InChIInChI=1S/C16H23N3O4/c1-18-13-3-2-12(20)10-14(13)23-16(18)4-5-17-15(21)11-19-6-8-22-9-7-19/h2-3,10,16,20H,4-9,11H2,1H3,(H,17,21)
InChIKeyWXVNKZXVWSQIAN-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.39
Rot. Bonds5

About N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide

N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide (PubChem CID 54455379) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide
PubChem CID54455379
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide
SMILESCN1c2ccc(O)cc2OC1CCNC(=O)CN1CCOCC1
InChIInChI=1S/C16H23N3O4/c1-18-13-3-2-12(20)10-14(13)23-16(18)4-5-17-15(21)11-19-6-8-22-9-7-19/h2-3,10,16,20H,4-9,11H2,1H3,(H,17,21)
InChIKeyWXVNKZXVWSQIAN-UHFFFAOYSA-N
XLogP0.39
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide
CID 54281599
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 54167227
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108993688
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 58265158
N-(2-acetyl-4-methylphenyl)-2-morpholin-4-ylacetamide
CID 135053120
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140
N'-(2-chloroacetyl)-2-morpholin-4-ylacetohydrazide
CID 23544064
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide
CID 54200449
N,N-dimethyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353565

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide (CID 54455379) is N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide is CN1c2ccc(O)cc2OC1CCNC(=O)CN1CCOCC1.
What is the InChIKey of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide?
The InChIKey is WXVNKZXVWSQIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-18-13-3-2-12(20)10-14(13)23-16(18)4-5-17-15(21)11-19-6-8-22-9-7-19/h2-3,10,16,20H,4-9,11H2,1H3,(H,17,21).
What are the key properties of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide?
N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide has a molecular weight of 321.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 54455379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).