(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole

C15H15F2N3O — CID 171679289

IUPAC(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(C[C@H]2CC(c3c(F)cccc3F)=NO2)n1
InChIInChI=1S/C15H15F2N3O/c1-9-6-10(2)20(18-9)8-11-7-14(19-21-11)15-12(16)4-3-5-13(15)17/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyNFRUKIHFWHRGRP-LLVKDONJSA-N
MW291.30 g/mol
LogP2.97
Rot. Bonds3

About (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole

(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 171679289) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID171679289
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(C[C@H]2CC(c3c(F)cccc3F)=NO2)n1
InChIInChI=1S/C15H15F2N3O/c1-9-6-10(2)20(18-9)8-11-7-14(19-21-11)15-12(16)4-3-5-13(15)17/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyNFRUKIHFWHRGRP-LLVKDONJSA-N
XLogP2.97
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 171679243
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679165
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679195
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(4-fluoro-3-methylsulfonylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679228
(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679290
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 171679157
(5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 99994023
1-[4-[[5-[(2,6-difluorophenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;methane
CID 161240894
3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 3514433
3-[3-fluoro-4-[2-fluoro-4-[5-[(4-methyltriazol-1-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-5-[(4-methyltriazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole
CID 59749498
3-(2-chloro-6-fluorophenyl)-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491341
(3S)-1-(3-chloro-4-fluorophenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 6546833

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole (CID 171679289) is (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole is Cc1cc(C)n(C[C@H]2CC(c3c(F)cccc3F)=NO2)n1.
What is the InChIKey of (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is NFRUKIHFWHRGRP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9-6-10(2)20(18-9)8-11-7-14(19-21-11)15-12(16)4-3-5-13(15)17/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole?
(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 291.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171679289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).