3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide

C26H22FN3O3 — CID 35351495

IUPAC3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1F
InChIInChI=1S/C26H22FN3O3/c1-17-11-12-19(15-22(17)27)24(31)28-13-14-29-25(32)20-9-5-6-10-21(20)26-30-16-23(33-26)18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyKDEVXWGLNNIGIK-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.62
Rot. Bonds7

About 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide

3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide (PubChem CID 35351495) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide
PubChem CID35351495
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC Name3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1F
InChIInChI=1S/C26H22FN3O3/c1-17-11-12-19(15-22(17)27)24(31)28-13-14-29-25(32)20-9-5-6-10-21(20)26-30-16-23(33-26)18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyKDEVXWGLNNIGIK-UHFFFAOYSA-N
XLogP4.62
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 36656774
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 36744321
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide
CID 55405796
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 24659708
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
CID 36654951
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide (CID 35351495) is 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide?
The InChIKey is KDEVXWGLNNIGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-17-11-12-19(15-22(17)27)24(31)28-13-14-29-25(32)20-9-5-6-10-21(20)26-30-16-23(33-26)18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide?
3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide has a molecular weight of 443.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 35351495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).