2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide

C16H19FN4O3 — CID 46982150

IUPAC2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide
SMILESCc1nc(CCN(C)C(=O)CCNC(=O)c2ccccc2F)no1
InChIInChI=1S/C16H19FN4O3/c1-11-19-14(20-24-11)8-10-21(2)15(22)7-9-18-16(23)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3,(H,18,23)
InChIKeyUSZBDHCILQYIGT-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.34
Rot. Bonds7

About 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide

2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide (PubChem CID 46982150) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide
PubChem CID46982150
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide
SMILESCc1nc(CCN(C)C(=O)CCNC(=O)c2ccccc2F)no1
InChIInChI=1S/C16H19FN4O3/c1-11-19-14(20-24-11)8-10-21(2)15(22)7-9-18-16(23)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3,(H,18,23)
InChIKeyUSZBDHCILQYIGT-UHFFFAOYSA-N
XLogP1.34
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide (CID 46982150) is 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide is Cc1nc(CCN(C)C(=O)CCNC(=O)c2ccccc2F)no1.
What is the InChIKey of 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is USZBDHCILQYIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-11-19-14(20-24-11)8-10-21(2)15(22)7-9-18-16(23)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3,(H,18,23).
What are the key properties of 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 334.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 46982150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).