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

C15H16FN3O — CID 171679243

IUPAC(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(C[C@H]2CC(c3cccc(F)c3)=NO2)n1
InChIInChI=1S/C15H16FN3O/c1-10-6-11(2)19(17-10)9-14-8-15(18-20-14)12-4-3-5-13(16)7-12/h3-7,14H,8-9H2,1-2H3/t14-/m1/s1
InChIKeyZJCSWNTWDHVHCE-CQSZACIVSA-N
MW273.31 g/mol
LogP2.83
Rot. Bonds3

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

(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 171679243) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID171679243
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(C[C@H]2CC(c3cccc(F)c3)=NO2)n1
InChIInChI=1S/C15H16FN3O/c1-10-6-11(2)19(17-10)9-14-8-15(18-20-14)12-4-3-5-13(16)7-12/h3-7,14H,8-9H2,1-2H3/t14-/m1/s1
InChIKeyZJCSWNTWDHVHCE-CQSZACIVSA-N
XLogP2.83
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 171679243) is (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole is Cc1cc(C)n(C[C@H]2CC(c3cccc(F)c3)=NO2)n1.
What is the InChIKey of (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ZJCSWNTWDHVHCE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-6-11(2)19(17-10)9-14-8-15(18-20-14)12-4-3-5-13(16)7-12/h3-7,14H,8-9H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 273.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171679243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).