2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

C22H23FN4O2 — CID 16670042

IUPAC2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cc3ccccc3F)CC2)on1
InChIInChI=1S/C22H23FN4O2/c1-14-11-20(29-26-14)18-13-24-15(2)25-22(18)16-7-9-27(10-8-16)21(28)12-17-5-3-4-6-19(17)23/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyHWMFWADOKVXRCN-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 16670042) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID16670042
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cc3ccccc3F)CC2)on1
InChIInChI=1S/C22H23FN4O2/c1-14-11-20(29-26-14)18-13-24-15(2)25-22(18)16-7-9-27(10-8-16)21(28)12-17-5-3-4-6-19(17)23/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyHWMFWADOKVXRCN-UHFFFAOYSA-N
XLogP3.84
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 16670129
2-(4-fluorophenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670305
1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 110218537
1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 46962225
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 122186922
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
CID 110238871
furan-2-yl-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670297
3-(benzotriazol-1-yl)-1-[(3R)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95797367
2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401408
1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669837
(3-methoxyphenyl)-[(3S)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584575
3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
CID 98134449

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 16670042) is 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cc3ccccc3F)CC2)on1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is HWMFWADOKVXRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-11-20(29-26-14)18-13-24-15(2)25-22(18)16-7-9-27(10-8-16)21(28)12-17-5-3-4-6-19(17)23/h3-6,11,13,16H,7-10,12H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 394.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 16670042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).