[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C24H24FN5O3 — CID 125012473

IUPAC[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)on2)cn1
InChIInChI=1S/C24H24FN5O3/c1-2-30-15-18(12-27-30)21-11-22(33-28-21)24(31)29-8-4-6-17(14-29)23-26-13-20(32-23)10-16-5-3-7-19(25)9-16/h3,5,7,9,11-13,15,17H,2,4,6,8,10,14H2,1H3/t17-/m0/s1
InChIKeyVXTRHMPHCQCARF-KRWDZBQOSA-N
MW449.49 g/mol
LogP4.30
Rot. Bonds6

About [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 125012473) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID125012473
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)on2)cn1
InChIInChI=1S/C24H24FN5O3/c1-2-30-15-18(12-27-30)21-11-22(33-28-21)24(31)29-8-4-6-17(14-29)23-26-13-20(32-23)10-16-5-3-7-19(25)9-16/h3,5,7,9,11-13,15,17H,2,4,6,8,10,14H2,1H3/t17-/m0/s1
InChIKeyVXTRHMPHCQCARF-KRWDZBQOSA-N
XLogP4.30
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 124979913
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129457126
[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 124975249
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125017531
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
CID 124963252
(6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125000734
4-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 110119966
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124964915
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
CID 125014476
1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 129457194
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129453940
[3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124948138

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 125012473) is [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is CCn1cc(-c2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)on2)cn1.
What is the InChIKey of [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is VXTRHMPHCQCARF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-2-30-15-18(12-27-30)21-11-22(33-28-21)24(31)29-8-4-6-17(14-29)23-26-13-20(32-23)10-16-5-3-7-19(25)9-16/h3,5,7,9,11-13,15,17H,2,4,6,8,10,14H2,1H3/t17-/m0/s1.
What are the key properties of [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 449.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 125012473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).