[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

C18H16ClN3O3 — CID 124986148

IUPAC[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClN3O3/c19-13-5-3-12(4-6-13)8-14-9-21-17(25-14)15-2-1-7-22(15)18(23)16-10-20-11-24-16/h3-6,9-11,15H,1-2,7-8H2/t15-/m0/s1
InChIKeyNWNJXQJALPOTQW-HNNXBMFYSA-N
MW357.80 g/mol
LogP3.88
Rot. Bonds4

About [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 124986148) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID124986148
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClN3O3/c19-13-5-3-12(4-6-13)8-14-9-21-17(25-14)15-2-1-7-22(15)18(23)16-10-20-11-24-16/h3-6,9-11,15H,1-2,7-8H2/t15-/m0/s1
InChIKeyNWNJXQJALPOTQW-HNNXBMFYSA-N
XLogP3.88
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124972691
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124973012
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 125020215
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110120660
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124987887
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 124998094
[2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 110131433
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124978238
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110121023
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 110120604
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124981728
6-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110120996

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 124986148) is [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is NWNJXQJALPOTQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-13-5-3-12(4-6-13)8-14-9-21-17(25-14)15-2-1-7-22(15)18(23)16-10-20-11-24-16/h3-6,9-11,15H,1-2,7-8H2/t15-/m0/s1.
What are the key properties of [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 357.80 g/mol, XLogP of 3.88, 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-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 124986148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).