(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide

C23H23N3O3 — CID 24959542

IUPAC(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESCc1noc(-c2ccccc2)c1CCN1Cc2ccc(/C=C/C(=O)NO)cc2C1
InChIInChI=1S/C23H23N3O3/c1-16-21(23(29-25-16)18-5-3-2-4-6-18)11-12-26-14-19-9-7-17(13-20(19)15-26)8-10-22(27)24-28/h2-10,13,28H,11-12,14-15H2,1H3,(H,24,27)/b10-8+
InChIKeyHWQAGUZDIUBZJD-CSKARUKUSA-N
MW389.46 g/mol
LogP3.73
Rot. Bonds6

About (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide (PubChem CID 24959542) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
PubChem CID24959542
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESCc1noc(-c2ccccc2)c1CCN1Cc2ccc(/C=C/C(=O)NO)cc2C1
InChIInChI=1S/C23H23N3O3/c1-16-21(23(29-25-16)18-5-3-2-4-6-18)11-12-26-14-19-9-7-17(13-20(19)15-26)8-10-22(27)24-28/h2-10,13,28H,11-12,14-15H2,1H3,(H,24,27)/b10-8+
InChIKeyHWQAGUZDIUBZJD-CSKARUKUSA-N
XLogP3.73
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide (CID 24959542) is (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide is Cc1noc(-c2ccccc2)c1CCN1Cc2ccc(/C=C/C(=O)NO)cc2C1.
What is the InChIKey of (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The InChIKey is HWQAGUZDIUBZJD-CSKARUKUSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-21(23(29-25-16)18-5-3-2-4-6-18)11-12-26-14-19-9-7-17(13-20(19)15-26)8-10-22(27)24-28/h2-10,13,28H,11-12,14-15H2,1H3,(H,24,27)/b10-8+.
What are the key properties of (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide has a molecular weight of 389.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide is sourced from PubChem (CID 24959542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).