(E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride

C17H20ClN3O4 — CID 44592059

IUPAC(E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride
SMILESCl.O=C(/C=C/c1ccc(-c2cc(CN3CCOCC3)on2)cc1)NO
InChIInChI=1S/C17H19N3O4.ClH/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20;/h1-6,11,22H,7-10,12H2,(H,18,21);1H/b6-3+;
InChIKeyNIBBVANAWUQEHK-ZIKNSQGESA-N
MW365.82 g/mol
LogP2.11
Rot. Bonds5

About (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride

(E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride (PubChem CID 44592059) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride
PubChem CID44592059
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name(E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride
SMILESCl.O=C(/C=C/c1ccc(-c2cc(CN3CCOCC3)on2)cc1)NO
InChIInChI=1S/C17H19N3O4.ClH/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20;/h1-6,11,22H,7-10,12H2,(H,18,21);1H/b6-3+;
InChIKeyNIBBVANAWUQEHK-ZIKNSQGESA-N
XLogP2.11
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.11
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride?
The IUPAC name of (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride (CID 44592059) is (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride is Cl.O=C(/C=C/c1ccc(-c2cc(CN3CCOCC3)on2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride?
The InChIKey is NIBBVANAWUQEHK-ZIKNSQGESA-N. The full InChI is InChI=1S/C17H19N3O4.ClH/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20;/h1-6,11,22H,7-10,12H2,(H,18,21);1H/b6-3+;.
What are the key properties of (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride?
(E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride has a molecular weight of 365.82 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 44592059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).