4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

C19H15N3O5 — CID 38466657

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H15N3O5/c23-16(20-11-7-8-15-14(10-11)21-19(26)27-15)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,23)(H,21,26)
InChIKeyLMVUQBMPRJSDLU-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.14
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide (PubChem CID 38466657) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
PubChem CID38466657
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H15N3O5/c23-16(20-11-7-8-15-14(10-11)21-19(26)27-15)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,23)(H,21,26)
InChIKeyLMVUQBMPRJSDLU-UHFFFAOYSA-N
XLogP2.14
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072716
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38467641
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide (CID 38466657) is 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is LMVUQBMPRJSDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c23-16(20-11-7-8-15-14(10-11)21-19(26)27-15)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,23)(H,21,26).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 365.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 38466657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).