2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol

C20H19FN6O2 — CID 68642144

IUPAC2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C20H19FN6O2/c1-20(2,28)13-10-24-18(25-17(13)22)15-9-16(19-23-7-8-29-19)27(26-15)11-12-5-3-4-6-14(12)21/h3-10,28H,11H2,1-2H3,(H2,22,24,25)
InChIKeyCYYHSLZFRFBKAC-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.99
Rot. Bonds5

About 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol

2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol (PubChem CID 68642144) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol
PubChem CID68642144
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C20H19FN6O2/c1-20(2,28)13-10-24-18(25-17(13)22)15-9-16(19-23-7-8-29-19)27(26-15)11-12-5-3-4-6-14(12)21/h3-10,28H,11H2,1-2H3,(H2,22,24,25)
InChIKeyCYYHSLZFRFBKAC-UHFFFAOYSA-N
XLogP2.99
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol (CID 68642144) is 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol is CC(C)(O)c1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N.
What is the InChIKey of 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol?
The InChIKey is CYYHSLZFRFBKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-20(2,28)13-10-24-18(25-17(13)22)15-9-16(19-23-7-8-29-19)27(26-15)11-12-5-3-4-6-14(12)21/h3-10,28H,11H2,1-2H3,(H2,22,24,25).
What are the key properties of 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol?
2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol has a molecular weight of 394.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 68642144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).