2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide

C23H20F3N3O4 — CID 11224939

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C23H20F3N3O4/c1-2-3-18(28-20(30)10-13-8-16(25)11-17(26)9-13)22(32)29-23-27-12-19(33-23)21(31)14-4-6-15(24)7-5-14/h4-9,11-12,18H,2-3,10H2,1H3,(H,28,30)(H,27,29,32)
InChIKeyIOSDORZLTHBNPW-UHFFFAOYSA-N
MW459.42 g/mol
LogP3.79
Rot. Bonds9

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide (PubChem CID 11224939) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide
PubChem CID11224939
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C23H20F3N3O4/c1-2-3-18(28-20(30)10-13-8-16(25)11-17(26)9-13)22(32)29-23-27-12-19(33-23)21(31)14-4-6-15(24)7-5-14/h4-9,11-12,18H,2-3,10H2,1H3,(H,28,30)(H,27,29,32)
InChIKeyIOSDORZLTHBNPW-UHFFFAOYSA-N
XLogP3.79
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide (CID 11224939) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide?
The InChIKey is IOSDORZLTHBNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c1-2-3-18(28-20(30)10-13-8-16(25)11-17(26)9-13)22(32)29-23-27-12-19(33-23)21(31)14-4-6-15(24)7-5-14/h4-9,11-12,18H,2-3,10H2,1H3,(H,28,30)(H,27,29,32).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide has a molecular weight of 459.42 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-fluorobenzoyl)-1,3-oxazol-2-yl]pentanamide is sourced from PubChem (CID 11224939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).