(E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide

C20H18N4O5 — CID 25181998

IUPAC(E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)Nc2cccc(/C=C/C(=O)NO)c2)cc1-c1cnco1
InChIInChI=1S/C20H18N4O5/c1-28-17-7-6-15(10-16(17)18-11-21-12-29-18)23-20(26)22-14-4-2-3-13(9-14)5-8-19(25)24-27/h2-12,27H,1H3,(H,24,25)(H2,22,23,26)/b8-5+
InChIKeyARJAMBGJMJJGLM-VMPITWQZSA-N
MW394.39 g/mol
LogP3.51
Rot. Bonds6

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

(E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide (PubChem CID 25181998) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide
PubChem CID25181998
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Name(E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)Nc2cccc(/C=C/C(=O)NO)c2)cc1-c1cnco1
InChIInChI=1S/C20H18N4O5/c1-28-17-7-6-15(10-16(17)18-11-21-12-29-18)23-20(26)22-14-4-2-3-13(9-14)5-8-19(25)24-27/h2-12,27H,1H3,(H,24,25)(H2,22,23,26)/b8-5+
InChIKeyARJAMBGJMJJGLM-VMPITWQZSA-N
XLogP3.51
TPSA125.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N'-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]oxamide
CID 25181996
N-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-N'-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]oxamide
CID 25181994
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-N'-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]oxamide
CID 25181995
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67046782
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11068279
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 67047065
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-nitrophenyl)urea
CID 15462733
(E)-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 28688714
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 67046910
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide (CID 25181998) is (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide is COc1ccc(NC(=O)Nc2cccc(/C=C/C(=O)NO)c2)cc1-c1cnco1.
What is the InChIKey of (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide?
The InChIKey is ARJAMBGJMJJGLM-VMPITWQZSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-28-17-7-6-15(10-16(17)18-11-21-12-29-18)23-20(26)22-14-4-2-3-13(9-14)5-8-19(25)24-27/h2-12,27H,1H3,(H,24,25)(H2,22,23,26)/b8-5+.
What are the key properties of (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide has a molecular weight of 394.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 25181998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).