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

C19H18FN3O2S — CID 124972208

IUPAC[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)9-15-10-22-18(25-15)16-3-1-2-8-23(16)19(24)17-11-21-12-26-17/h4-7,10-12,16H,1-3,8-9H2/t16-/m0/s1
InChIKeyKBJRDNCQRKZEAM-INIZCTEOSA-N
MW371.44 g/mol
LogP4.23
Rot. Bonds4

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

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 124972208) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID124972208
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)9-15-10-22-18(25-15)16-3-1-2-8-23(16)19(24)17-11-21-12-26-17/h4-7,10-12,16H,1-3,8-9H2/t16-/m0/s1
InChIKeyKBJRDNCQRKZEAM-INIZCTEOSA-N
XLogP4.23
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124978238
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 110121418
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124957841
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125023310
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 124954588
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099261
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124986452
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454479
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 124990775
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454478
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124952519

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 124972208) is [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is KBJRDNCQRKZEAM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)9-15-10-22-18(25-15)16-3-1-2-8-23(16)19(24)17-11-21-12-26-17/h4-7,10-12,16H,1-3,8-9H2/t16-/m0/s1.
What are the key properties of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124972208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).