2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol

C19H17FN6O2 — CID 118233475

IUPAC2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol
SMILESOCCNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1
InChIInChI=1S/C19H17FN6O2/c20-15-4-2-1-3-13(15)12-26-18(16-5-8-28-25-16)9-17(24-26)19-22-10-14(11-23-19)21-6-7-27/h1-5,8-11,21,27H,6-7,12H2
InChIKeyXCGSOWZEJYEKHM-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.59
Rot. Bonds7

About 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol

2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol (PubChem CID 118233475) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol
PubChem CID118233475
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol
SMILESOCCNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1
InChIInChI=1S/C19H17FN6O2/c20-15-4-2-1-3-13(15)12-26-18(16-5-8-28-25-16)9-17(24-26)19-22-10-14(11-23-19)21-6-7-27/h1-5,8-11,21,27H,6-7,12H2
InChIKeyXCGSOWZEJYEKHM-UHFFFAOYSA-N
XLogP2.59
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol (CID 118233475) is 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol is OCCNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1.
What is the InChIKey of 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol?
The InChIKey is XCGSOWZEJYEKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-15-4-2-1-3-13(15)12-26-18(16-5-8-28-25-16)9-17(24-26)19-22-10-14(11-23-19)21-6-7-27/h1-5,8-11,21,27H,6-7,12H2.
What are the key properties of 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol?
2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol has a molecular weight of 380.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 118233475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).