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

C19H19N3O3 — CID 35148080

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O3/c23-19(13-17-16-3-1-2-4-18(16)25-21-17)20-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8H,9-13H2,(H,20,23)
InChIKeyCJYMTIRJQRHNSC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.85
Rot. Bonds4

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

2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 35148080) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID35148080
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O3/c23-19(13-17-16-3-1-2-4-18(16)25-21-17)20-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8H,9-13H2,(H,20,23)
InChIKeyCJYMTIRJQRHNSC-UHFFFAOYSA-N
XLogP2.85
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 71890231
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 9183622
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
2-(1,2-benzoxazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9068927
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772
2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97427988
2-(1,2-benzoxazol-3-yl)-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50944530
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 157013975
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 35148080) is 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(Cc1noc2ccccc12)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is CJYMTIRJQRHNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(13-17-16-3-1-2-4-18(16)25-21-17)20-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8H,9-13H2,(H,20,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.85, 4 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-ylphenyl)acetamide is sourced from PubChem (CID 35148080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).