(E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C25H26N4O3 — CID 53363971

IUPAC(E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C25H26N4O3/c1-16-24(17(2)32-29-16)25-21(20-5-3-4-6-22(20)27-25)13-14-26-15-19-9-7-18(8-10-19)11-12-23(30)28-31/h3-12,26-27,31H,13-15H2,1-2H3,(H,28,30)/b12-11+
InChIKeyJUFMUTAMQLDDPW-VAWYXSNFSA-N
MW430.51 g/mol
LogP4.29
Rot. Bonds8

About (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 53363971) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID53363971
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C25H26N4O3/c1-16-24(17(2)32-29-16)25-21(20-5-3-4-6-22(20)27-25)13-14-26-15-19-9-7-18(8-10-19)11-12-23(30)28-31/h3-12,26-27,31H,13-15H2,1-2H3,(H,28,30)/b12-11+
InChIKeyJUFMUTAMQLDDPW-VAWYXSNFSA-N
XLogP4.29
TPSA103.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 53363971) is (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is Cc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is JUFMUTAMQLDDPW-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-24(17(2)32-29-16)25-21(20-5-3-4-6-22(20)27-25)13-14-26-15-19-9-7-18(8-10-19)11-12-23(30)28-31/h3-12,26-27,31H,13-15H2,1-2H3,(H,28,30)/b12-11+.
What are the key properties of (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 430.51 g/mol, XLogP of 4.29, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 53363971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).