N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H15N3O4 — CID 110707373

IUPACN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCc1ccc2ocnc2c1
InChIInChI=1S/C19H15N3O4/c23-17(10-22-18(24)13-3-1-2-4-14(13)19(22)25)20-8-7-12-5-6-16-15(9-12)21-11-26-16/h1-6,9,11H,7-8,10H2,(H,20,23)
InChIKeySFNVTLVABYGNGC-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 110707373) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID110707373
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCc1ccc2ocnc2c1
InChIInChI=1S/C19H15N3O4/c23-17(10-22-18(24)13-3-1-2-4-14(13)19(22)25)20-8-7-12-5-6-16-15(9-12)21-11-26-16/h1-6,9,11H,7-8,10H2,(H,20,23)
InChIKeySFNVTLVABYGNGC-UHFFFAOYSA-N
XLogP1.78
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110707393
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110707389
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
3-amino-N-[2-(1,3-benzoxazol-6-yl)ethyl]butanamide
CID 115154356
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 110707373) is N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCCc1ccc2ocnc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is SFNVTLVABYGNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-17(10-22-18(24)13-3-1-2-4-14(13)19(22)25)20-8-7-12-5-6-16-15(9-12)21-11-26-16/h1-6,9,11H,7-8,10H2,(H,20,23).
What are the key properties of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 349.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 110707373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).