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

C17H21FN4O3 — CID 70767817

IUPAC2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide
SMILESCC(C)c1nc(CN(C)C(=O)CCNC(=O)c2ccccc2F)no1
InChIInChI=1S/C17H21FN4O3/c1-11(2)17-20-14(21-25-17)10-22(3)15(23)8-9-19-16(24)12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3,(H,19,24)
InChIKeyNMQXETSHZHFYPT-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.11
Rot. Bonds7

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

2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide (PubChem CID 70767817) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide
PubChem CID70767817
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide
SMILESCC(C)c1nc(CN(C)C(=O)CCNC(=O)c2ccccc2F)no1
InChIInChI=1S/C17H21FN4O3/c1-11(2)17-20-14(21-25-17)10-22(3)15(23)8-9-19-16(24)12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3,(H,19,24)
InChIKeyNMQXETSHZHFYPT-UHFFFAOYSA-N
XLogP2.11
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.11
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-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide (CID 70767817) is 2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide is CC(C)c1nc(CN(C)C(=O)CCNC(=O)c2ccccc2F)no1.
What is the InChIKey of 2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is NMQXETSHZHFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-11(2)17-20-14(21-25-17)10-22(3)15(23)8-9-19-16(24)12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3,(H,19,24).
What are the key properties of 2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide has a molecular weight of 348.38 g/mol, XLogP of 2.11, 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-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 70767817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).