N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide

C15H17FN4O3 — CID 56712590

IUPACN-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide
SMILESCc1cc(F)ccc1NC(=O)C(C)NC(=O)Cc1nonc1C
InChIInChI=1S/C15H17FN4O3/c1-8-6-11(16)4-5-12(8)18-15(22)10(3)17-14(21)7-13-9(2)19-23-20-13/h4-6,10H,7H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyQZLSGCJAQIHPDI-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.51
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide

N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide (PubChem CID 56712590) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide
PubChem CID56712590
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide
SMILESCc1cc(F)ccc1NC(=O)C(C)NC(=O)Cc1nonc1C
InChIInChI=1S/C15H17FN4O3/c1-8-6-11(16)4-5-12(8)18-15(22)10(3)17-14(21)7-13-9(2)19-23-20-13/h4-6,10H,7H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyQZLSGCJAQIHPDI-UHFFFAOYSA-N
XLogP1.51
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide (CID 56712590) is N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide is Cc1cc(F)ccc1NC(=O)C(C)NC(=O)Cc1nonc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide?
The InChIKey is QZLSGCJAQIHPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-8-6-11(16)4-5-12(8)18-15(22)10(3)17-14(21)7-13-9(2)19-23-20-13/h4-6,10H,7H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide?
N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide has a molecular weight of 320.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 56712590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).