(2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

C16H16F2N4O — CID 95277243

IUPAC(2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1coc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H16F2N4O/c1-11(9-22-6-2-5-20-22)19-8-13-10-23-16(21-13)12-3-4-14(17)15(18)7-12/h2-7,10-11,19H,8-9H2,1H3/t11-/m1/s1
InChIKeyZBPGXWZQVHCJKJ-LLVKDONJSA-N
MW318.33 g/mol
LogP2.99
Rot. Bonds6

About (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

(2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95277243) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95277243
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name(2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1coc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H16F2N4O/c1-11(9-22-6-2-5-20-22)19-8-13-10-23-16(21-13)12-3-4-14(17)15(18)7-12/h2-7,10-11,19H,8-9H2,1H3/t11-/m1/s1
InChIKeyZBPGXWZQVHCJKJ-LLVKDONJSA-N
XLogP2.99
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 56781262
(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 95279658
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
CID 56682845
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 46220080
(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 95276861
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 55032692
(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 94362537
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 112818351
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
CID 56677220

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 95277243) is (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is C[C@H](Cn1cccn1)NCc1coc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is ZBPGXWZQVHCJKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-11(9-22-6-2-5-20-22)19-8-13-10-23-16(21-13)12-3-4-14(17)15(18)7-12/h2-7,10-11,19H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 318.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95277243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).