[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C22H22FN3O3S — CID 42951736

IUPAC[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1noc(C)c1CSc1ncccc1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H22FN3O3S/c1-14-19(15(2)29-25-14)13-30-21-18(4-3-9-24-21)22(27)26-10-11-28-20(12-26)16-5-7-17(23)8-6-16/h3-9,20H,10-13H2,1-2H3
InChIKeyPZWDAMPTLDXQRA-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.33
Rot. Bonds5

About [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 42951736) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID42951736
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1noc(C)c1CSc1ncccc1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H22FN3O3S/c1-14-19(15(2)29-25-14)13-30-21-18(4-3-9-24-21)22(27)26-10-11-28-20(12-26)16-5-7-17(23)8-6-16/h3-9,20H,10-13H2,1-2H3
InChIKeyPZWDAMPTLDXQRA-UHFFFAOYSA-N
XLogP4.33
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-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

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 51191560
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 34676458
cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 56511502
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 55374163
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519323
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38603197
cyclohexyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 78802072
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 42951736) is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is Cc1noc(C)c1CSc1ncccc1C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is PZWDAMPTLDXQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c1-14-19(15(2)29-25-14)13-30-21-18(4-3-9-24-21)22(27)26-10-11-28-20(12-26)16-5-7-17(23)8-6-16/h3-9,20H,10-13H2,1-2H3.
What are the key properties of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 427.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 42951736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).