N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C19H17F5N6O — CID 164533689

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)Cn1cc(Nc2ncc(C(F)(F)F)c(N3OCC[C@H]3c3ccccc3)n2)cn1
InChIInChI=1S/C19H17F5N6O/c20-16(21)11-29-10-13(8-26-29)27-18-25-9-14(19(22,23)24)17(28-18)30-15(6-7-31-30)12-4-2-1-3-5-12/h1-5,8-10,15-16H,6-7,11H2,(H,25,27,28)/t15-/m0/s1
InChIKeyQZOYXJWPWJVBKA-HNNXBMFYSA-N
MW440.38 g/mol
LogP4.58
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 164533689) has the molecular formula C19H17F5N6O and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID164533689
Molecular FormulaC19H17F5N6O
Molecular Weight440.38 g/mol
Exact Mass440.14
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)Cn1cc(Nc2ncc(C(F)(F)F)c(N3OCC[C@H]3c3ccccc3)n2)cn1
InChIInChI=1S/C19H17F5N6O/c20-16(21)11-29-10-13(8-26-29)27-18-25-9-14(19(22,23)24)17(28-18)30-15(6-7-31-30)12-4-2-1-3-5-12/h1-5,8-10,15-16H,6-7,11H2,(H,25,27,28)/t15-/m0/s1
InChIKeyQZOYXJWPWJVBKA-HNNXBMFYSA-N
XLogP4.58
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyclopropylpyrazol-4-yl)-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533700
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
N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754141
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
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-[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
1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol
CID 175753992
2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 164533797
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754123

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 164533689) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)Cn1cc(Nc2ncc(C(F)(F)F)c(N3OCC[C@H]3c3ccccc3)n2)cn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QZOYXJWPWJVBKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17F5N6O/c20-16(21)11-29-10-13(8-26-29)27-18-25-9-14(19(22,23)24)17(28-18)30-15(6-7-31-30)12-4-2-1-3-5-12/h1-5,8-10,15-16H,6-7,11H2,(H,25,27,28)/t15-/m0/s1.
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 440.38 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 164533689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).