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

C22H29FN4O2 — CID 24791035

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H29FN4O2/c1-3-20-21(16(2)29-24-20)22(28)27-10-4-5-19(15-27)26-13-11-25(12-14-26)18-8-6-17(23)7-9-18/h6-9,19H,3-5,10-15H2,1-2H3
InChIKeySVWVYBVLBTYCHX-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.11
Rot. Bonds4

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

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24791035) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24791035
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H29FN4O2/c1-3-20-21(16(2)29-24-20)22(28)27-10-4-5-19(15-27)26-13-11-25(12-14-26)18-8-6-17(23)7-9-18/h6-9,19H,3-5,10-15H2,1-2H3
InChIKeySVWVYBVLBTYCHX-UHFFFAOYSA-N
XLogP3.11
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124978958
[(3aR,7aS)-1-(4-fluorophenyl)-2,2-dimethyl-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 155999364
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 42241698
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 42402755
3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24791035) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is SVWVYBVLBTYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-3-20-21(16(2)29-24-20)22(28)27-10-4-5-19(15-27)26-13-11-25(12-14-26)18-8-6-17(23)7-9-18/h6-9,19H,3-5,10-15H2,1-2H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 400.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24791035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).