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

C18H19F2N3O4 — CID 11268961

IUPACN-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)=O)o1
InChIInChI=1S/C18H19F2N3O4/c1-3-4-14(17(26)23-18-21-9-15(27-18)10(2)24)22-16(25)7-11-5-12(19)8-13(20)6-11/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,22,25)(H,21,23,26)
InChIKeyYUEONLUYAONOED-UHFFFAOYSA-N
MW379.36 g/mol
LogP2.62
Rot. Bonds8

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

N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 11268961) has the molecular formula C18H19F2N3O4 and a molecular weight of 379.36 g/mol. Its IUPAC name is N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID11268961
Molecular FormulaC18H19F2N3O4
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC NameN-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)=O)o1
InChIInChI=1S/C18H19F2N3O4/c1-3-4-14(17(26)23-18-21-9-15(27-18)10(2)24)22-16(25)7-11-5-12(19)8-13(20)6-11/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,22,25)(H,21,23,26)
InChIKeyYUEONLUYAONOED-UHFFFAOYSA-N
XLogP2.62
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 11268961) is N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)=O)o1.
What is the InChIKey of N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is YUEONLUYAONOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O4/c1-3-4-14(17(26)23-18-21-9-15(27-18)10(2)24)22-16(25)7-11-5-12(19)8-13(20)6-11/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,22,25)(H,21,23,26).
What are the key properties of N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 379.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-oxazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11268961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).