5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one

C17H17FN6O2 — CID 69175284

IUPAC5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(-c3ncc(Cn4cccn4)[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN6O2/c18-15-6-12(24-10-13(7-19)26-17(24)25)2-3-14(15)16-20-8-11(22-16)9-23-5-1-4-21-23/h1-6,8,13H,7,9-10,19H2,(H,20,22)
InChIKeyKMKWBTYKOHBXHO-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.74
Rot. Bonds5

About 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 69175284) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID69175284
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(-c3ncc(Cn4cccn4)[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN6O2/c18-15-6-12(24-10-13(7-19)26-17(24)25)2-3-14(15)16-20-8-11(22-16)9-23-5-1-4-21-23/h1-6,8,13H,7,9-10,19H2,(H,20,22)
InChIKeyKMKWBTYKOHBXHO-UHFFFAOYSA-N
XLogP1.74
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one (CID 69175284) is 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one is NCC1CN(c2ccc(-c3ncc(Cn4cccn4)[nH]3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KMKWBTYKOHBXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-15-6-12(24-10-13(7-19)26-17(24)25)2-3-14(15)16-20-8-11(22-16)9-23-5-1-4-21-23/h1-6,8,13H,7,9-10,19H2,(H,20,22).
What are the key properties of 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 356.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69175284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).