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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Related Compounds

4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 164533710
phenyl-[4-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 164533893
2-methyl-N-[4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 175753997
N-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluorophenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533768
N-(1-cyclopropylpyrazol-4-yl)-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533700
3-[(3S)-2-[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,2-oxazolidin-3-yl]benzonitrile
CID 164533694
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533689
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754123
N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533896
N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175753999
N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754151
N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533859

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).