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

C18H23FN4O3 — CID 46996325

IUPAC2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide
SMILESCC(C)Cc1noc(CN(C)C(=O)CCNC(=O)c2ccccc2F)n1
InChIInChI=1S/C18H23FN4O3/c1-12(2)10-15-21-16(26-22-15)11-23(3)17(24)8-9-20-18(25)13-6-4-5-7-14(13)19/h4-7,12H,8-11H2,1-3H3,(H,20,25)
InChIKeyBVQNUVUIRLZUBO-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.19
Rot. Bonds8

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

2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide (PubChem CID 46996325) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide
PubChem CID46996325
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide
SMILESCC(C)Cc1noc(CN(C)C(=O)CCNC(=O)c2ccccc2F)n1
InChIInChI=1S/C18H23FN4O3/c1-12(2)10-15-21-16(26-22-15)11-23(3)17(24)8-9-20-18(25)13-6-4-5-7-14(13)19/h4-7,12H,8-11H2,1-3H3,(H,20,25)
InChIKeyBVQNUVUIRLZUBO-UHFFFAOYSA-N
XLogP2.19
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.19
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-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide (CID 46996325) is 2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide is CC(C)Cc1noc(CN(C)C(=O)CCNC(=O)c2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is BVQNUVUIRLZUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-12(2)10-15-21-16(26-22-15)11-23(3)17(24)8-9-20-18(25)13-6-4-5-7-14(13)19/h4-7,12H,8-11H2,1-3H3,(H,20,25).
What are the key properties of 2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide has a molecular weight of 362.41 g/mol, XLogP of 2.19, 8 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-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 46996325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).