(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide

C15H17FN4O4 — CID 9470551

IUPAC(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C15H17FN4O4/c1-3-17-13(22)9(2)18-12(21)8-20-15(23)24-14(19-20)10-4-6-11(16)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,17,22)(H,18,21)/t9-/m0/s1
InChIKeyJRIMNGGILICGLE-VIFPVBQESA-N
MW336.32 g/mol
LogP0.28
Rot. Bonds6

About (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide

(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide (PubChem CID 9470551) has the molecular formula C15H17FN4O4 and a molecular weight of 336.32 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
PubChem CID9470551
Molecular FormulaC15H17FN4O4
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C15H17FN4O4/c1-3-17-13(22)9(2)18-12(21)8-20-15(23)24-14(19-20)10-4-6-11(16)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,17,22)(H,18,21)/t9-/m0/s1
InChIKeyJRIMNGGILICGLE-VIFPVBQESA-N
XLogP0.28
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide with MolForge

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Related Compounds

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 27040316
N-(dicyclopropylmethyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 35465234
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(propylcarbamoyl)acetamide
CID 27040137
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42891981
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27039812
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N'-methyl-N'-phenylacetohydrazide
CID 9480149
N-(4-fluoro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9426253
N-[[4-(dimethylamino)phenyl]methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9305124
4-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 27040218
N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide (CID 9470551) is (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide is CCNC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide?
The InChIKey is JRIMNGGILICGLE-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17FN4O4/c1-3-17-13(22)9(2)18-12(21)8-20-15(23)24-14(19-20)10-4-6-11(16)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,17,22)(H,18,21)/t9-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide?
(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide has a molecular weight of 336.32 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide is sourced from PubChem (CID 9470551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).