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

C19H16N2O4 — CID 8892407

IUPACN-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
SMILESCOc1ccc(C2=N/C(=C\c3ccc(NC(C)=O)cc3)C(=O)O2)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)20-15-7-3-13(4-8-15)11-17-19(23)25-18(21-17)14-5-9-16(24-2)10-6-14/h3-11H,1-2H3,(H,20,22)/b17-11-
InChIKeyDECROYCGHBXGAO-BOPFTXTBSA-N
MW336.35 g/mol
LogP3.00
Rot. Bonds4

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

N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide (PubChem CID 8892407) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
PubChem CID8892407
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
SMILESCOc1ccc(C2=N/C(=C\c3ccc(NC(C)=O)cc3)C(=O)O2)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)20-15-7-3-13(4-8-15)11-17-19(23)25-18(21-17)14-5-9-16(24-2)10-6-14/h3-11H,1-2H3,(H,20,22)/b17-11-
InChIKeyDECROYCGHBXGAO-BOPFTXTBSA-N
XLogP3.00
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(Z)-[2-(3,4-dimethoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
CID 8892406
N-[4-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 24508816
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668220
4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4816005
(4Z)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 6214719
N-[4-[(4Z)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 24508813
2-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3328418
(4Z)-2-(4-methoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 9312649
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313256
N-[4-[(4Z)-4-[(3-fluorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 24508818
N-[4-[(4Z)-4-[(3-bromophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666183
N-[4-[(4E)-4-[(5-chlorofuran-2-yl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 75407189

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide (CID 8892407) is N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide is COc1ccc(C2=N/C(=C\c3ccc(NC(C)=O)cc3)C(=O)O2)cc1.
What is the InChIKey of N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide?
The InChIKey is DECROYCGHBXGAO-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(22)20-15-7-3-13(4-8-15)11-17-19(23)25-18(21-17)14-5-9-16(24-2)10-6-14/h3-11H,1-2H3,(H,20,22)/b17-11-.
What are the key properties of N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide?
N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 8892407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).