N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C22H18FN7O4 — CID 90445887

IUPACN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESO=C(CN1CCOC1=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C22H18FN7O4/c23-15-4-2-1-3-14(15)12-30-18(16-6-9-34-28-16)11-17(27-30)21-24-7-5-19(26-21)25-20(31)13-29-8-10-33-22(29)32/h1-7,9,11H,8,10,12-13H2,(H,24,25,26,31)
InChIKeyNRGNZWHBJAQWNZ-UHFFFAOYSA-N
MW463.43 g/mol
LogP2.57
Rot. Bonds7

About N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 90445887) has the molecular formula C22H18FN7O4 and a molecular weight of 463.43 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID90445887
Molecular FormulaC22H18FN7O4
Molecular Weight463.43 g/mol
Exact Mass463.14
IUPAC NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESO=C(CN1CCOC1=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C22H18FN7O4/c23-15-4-2-1-3-14(15)12-30-18(16-6-9-34-28-16)11-17(27-30)21-24-7-5-19(26-21)25-20(31)13-29-8-10-33-22(29)32/h1-7,9,11H,8,10,12-13H2,(H,24,25,26,31)
InChIKeyNRGNZWHBJAQWNZ-UHFFFAOYSA-N
XLogP2.57
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 90445887) is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is O=C(CN1CCOC1=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1.
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is NRGNZWHBJAQWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O4/c23-15-4-2-1-3-14(15)12-30-18(16-6-9-34-28-16)11-17(27-30)21-24-7-5-19(26-21)25-20(31)13-29-8-10-33-22(29)32/h1-7,9,11H,8,10,12-13H2,(H,24,25,26,31).
What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 463.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 90445887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).