2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide

C18H14N2O4 — CID 5292830

IUPAC2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1
InChIInChI=1S/C18H14N2O4/c19-16(21)11-23-14-8-6-12(7-9-14)10-15-17(20-24-18(15)22)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,21)/b15-10-
InChIKeyZYRATCJQUPGQHJ-GDNBJRDFSA-N
MW322.32 g/mol
LogP1.90
Rot. Bonds5

About 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide

2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide (PubChem CID 5292830) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide
PubChem CID5292830
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1
InChIInChI=1S/C18H14N2O4/c19-16(21)11-23-14-8-6-12(7-9-14)10-15-17(20-24-18(15)22)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,21)/b15-10-
InChIKeyZYRATCJQUPGQHJ-GDNBJRDFSA-N
XLogP1.90
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679283
(2-Amino-2-oxoethyl) 4-phenoxybenzoate
CID 2098554
Ca-in-5g
CID 15381187
3-(4-ethoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 76328451
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2084025
N-hydroxy-2-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]acetamide
CID 171350271
(4Z)-3-(4-fluorophenyl)-4-[[4-(oxan-2-ylmethoxy)phenyl]methylidene]-1,2-oxazol-5-one
CID 139254283
(4Z)-3-phenyl-4-[4-(prop-2-en-1-yloxy)benzylidene]-1,2-oxazol-5(4H)-one
CID 2213416
(2-Amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate
CID 4567049
(4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 2244767
(4Z)-4-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 10991218
4,5-Dihydro-3-(4-phenoxyphenyl)isoxazole-5-carboxylic acid
CID 19863011

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide (CID 5292830) is 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide is NC(=O)COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide?
The InChIKey is ZYRATCJQUPGQHJ-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H14N2O4/c19-16(21)11-23-14-8-6-12(7-9-14)10-15-17(20-24-18(15)22)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,21)/b15-10-.
What are the key properties of 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide?
2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide has a molecular weight of 322.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 5292830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).