2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide

C16H18FN3O3 — CID 146085075

IUPAC2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
SMILESCOc1cccc(C(=O)NC2(c3noc(C)n3)CCCC2)c1F
InChIInChI=1S/C16H18FN3O3/c1-10-18-15(20-23-10)16(8-3-4-9-16)19-14(21)11-6-5-7-12(22-2)13(11)17/h5-7H,3-4,8-9H2,1-2H3,(H,19,21)
InChIKeyIHBMXAQEHWJSGX-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.73
Rot. Bonds4

About 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide

2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide (PubChem CID 146085075) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
PubChem CID146085075
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
SMILESCOc1cccc(C(=O)NC2(c3noc(C)n3)CCCC2)c1F
InChIInChI=1S/C16H18FN3O3/c1-10-18-15(20-23-10)16(8-3-4-9-16)19-14(21)11-6-5-7-12(22-2)13(11)17/h5-7H,3-4,8-9H2,1-2H3,(H,19,21)
InChIKeyIHBMXAQEHWJSGX-UHFFFAOYSA-N
XLogP2.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The IUPAC name of 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide (CID 146085075) is 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The canonical SMILES for 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide is COc1cccc(C(=O)NC2(c3noc(C)n3)CCCC2)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The InChIKey is IHBMXAQEHWJSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-18-15(20-23-10)16(8-3-4-9-16)19-14(21)11-6-5-7-12(22-2)13(11)17/h5-7H,3-4,8-9H2,1-2H3,(H,19,21).
What are the key properties of 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide has a molecular weight of 319.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide is sourced from PubChem (CID 146085075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).