[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

C23H27FN4O2 — CID 110120909

IUPAC[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCCC2c2ncc(Cc3cccc(F)c3)o2)n(C)n1
InChIInChI=1S/C23H27FN4O2/c1-3-7-18-14-21(27(2)26-18)23(29)28-11-5-4-10-20(28)22-25-15-19(30-22)13-16-8-6-9-17(24)12-16/h6,8-9,12,14-15,20H,3-5,7,10-11,13H2,1-2H3
InChIKeyKQWDEYMDJPTQFU-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.46
Rot. Bonds6

About [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (PubChem CID 110120909) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
PubChem CID110120909
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCCC2c2ncc(Cc3cccc(F)c3)o2)n(C)n1
InChIInChI=1S/C23H27FN4O2/c1-3-7-18-14-21(27(2)26-18)23(29)28-11-5-4-10-20(28)22-25-15-19(30-22)13-16-8-6-9-17(24)12-16/h6,8-9,12,14-15,20H,3-5,7,10-11,13H2,1-2H3
InChIKeyKQWDEYMDJPTQFU-UHFFFAOYSA-N
XLogP4.46
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110119644
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 124995105
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110120843
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124987507
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-[(3-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129455330
(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125004181
[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 125002225
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
CID 124963206
[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 124948650
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125007448
[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 125011634
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 124994682

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The IUPAC name of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (CID 110120909) is [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.
What is the SMILES notation for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The canonical SMILES for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is CCCc1cc(C(=O)N2CCCCC2c2ncc(Cc3cccc(F)c3)o2)n(C)n1.
What is the InChIKey of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The InChIKey is KQWDEYMDJPTQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-3-7-18-14-21(27(2)26-18)23(29)28-11-5-4-10-20(28)22-25-15-19(30-22)13-16-8-6-9-17(24)12-16/h6,8-9,12,14-15,20H,3-5,7,10-11,13H2,1-2H3.
What are the key properties of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone has a molecular weight of 410.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 110120909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).