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

C22H26FN3O3S — CID 53168435

IUPAC2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCSCC1
InChIInChI=1S/C22H26FN3O3S/c1-15-20(22(28)26-9-11-30-12-10-26)24-21(29-15)17-5-7-25(8-6-17)19(27)14-16-3-2-4-18(23)13-16/h2-4,13,17H,5-12,14H2,1H3
InChIKeyZEVUTPZPSAJKPP-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.26
Rot. Bonds4

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

2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 53168435) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID53168435
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC Name2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCSCC1
InChIInChI=1S/C22H26FN3O3S/c1-15-20(22(28)26-9-11-30-12-10-26)24-21(29-15)17-5-7-25(8-6-17)19(27)14-16-3-2-4-18(23)13-16/h2-4,13,17H,5-12,14H2,1H3
InChIKeyZEVUTPZPSAJKPP-UHFFFAOYSA-N
XLogP3.26
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone 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-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837668
(3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168423
1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71837765
(2,5-difluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837787
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168372
(2,5-difluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837682
2-(3-fluorophenyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53032675
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168417
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 71837810
3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 71837780
N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837590
2-(3-fluorophenyl)-1-[4-(3-hydroxy-5-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 136533482

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 53168435) is 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is Cc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCSCC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZEVUTPZPSAJKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-15-20(22(28)26-9-11-30-12-10-26)24-21(29-15)17-5-7-25(8-6-17)19(27)14-16-3-2-4-18(23)13-16/h2-4,13,17H,5-12,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 431.53 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53168435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).