5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide

C21H18FN3O4 — CID 53110065

IUPAC5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1
InChIInChI=1S/C21H18FN3O4/c1-2-11-23-21(27)19-12-18(29-25-19)13-28-17-9-7-16(8-10-17)24-20(26)14-3-5-15(22)6-4-14/h2-10,12H,1,11,13H2,(H,23,27)(H,24,26)
InChIKeyIHGYWCQVSBQDSV-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.56
Rot. Bonds8

About 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide

5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide (PubChem CID 53110065) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
PubChem CID53110065
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1
InChIInChI=1S/C21H18FN3O4/c1-2-11-23-21(27)19-12-18(29-25-19)13-28-17-9-7-16(8-10-17)24-20(26)14-3-5-15(22)6-4-14/h2-10,12H,1,11,13H2,(H,23,27)(H,24,26)
InChIKeyIHGYWCQVSBQDSV-UHFFFAOYSA-N
XLogP3.56
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110030
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110206
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110035
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110124
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
5-[[4-[(2-fluorobenzoyl)amino]phenoxy]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95086436

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide (CID 53110065) is 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide is C=CCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1.
What is the InChIKey of 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The InChIKey is IHGYWCQVSBQDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-2-11-23-21(27)19-12-18(29-25-19)13-28-17-9-7-16(8-10-17)24-20(26)14-3-5-15(22)6-4-14/h2-10,12H,1,11,13H2,(H,23,27)(H,24,26).
What are the key properties of 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).