N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C25H25F4N5O — CID 175754141

IUPACN-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1cc(Nc2ncc(C(F)(F)F)c(N3OCCC3c3ccccc3)n2)ccc1C1CCNCC1
InChIInChI=1S/C25H25F4N5O/c26-21-14-18(6-7-19(21)16-8-11-30-12-9-16)32-24-31-15-20(25(27,28)29)23(33-24)34-22(10-13-35-34)17-4-2-1-3-5-17/h1-7,14-16,22,30H,8-13H2,(H,31,32,33)
InChIKeyAOARMDPQSKNFGN-UHFFFAOYSA-N
MW487.50 g/mol
LogP5.73
Rot. Bonds5

About N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 175754141) has the molecular formula C25H25F4N5O and a molecular weight of 487.50 g/mol. Its IUPAC name is N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID175754141
Molecular FormulaC25H25F4N5O
Molecular Weight487.50 g/mol
Exact Mass487.20
IUPAC NameN-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1cc(Nc2ncc(C(F)(F)F)c(N3OCCC3c3ccccc3)n2)ccc1C1CCNCC1
InChIInChI=1S/C25H25F4N5O/c26-21-14-18(6-7-19(21)16-8-11-30-12-9-16)32-24-31-15-20(25(27,28)29)23(33-24)34-22(10-13-35-34)17-4-2-1-3-5-17/h1-7,14-16,22,30H,8-13H2,(H,31,32,33)
InChIKeyAOARMDPQSKNFGN-UHFFFAOYSA-N
XLogP5.73
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 175754141) is N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine is Fc1cc(Nc2ncc(C(F)(F)F)c(N3OCCC3c3ccccc3)n2)ccc1C1CCNCC1.
What is the InChIKey of N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AOARMDPQSKNFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N5O/c26-21-14-18(6-7-19(21)16-8-11-30-12-9-16)32-24-31-15-20(25(27,28)29)23(33-24)34-22(10-13-35-34)17-4-2-1-3-5-17/h1-7,14-16,22,30H,8-13H2,(H,31,32,33).
What are the key properties of N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 487.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 175754141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).