[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone

C19H18ClN3O3 — CID 125022777

IUPAC[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1
InChIInChI=1S/C19H18ClN3O3/c20-16-6-2-1-4-13(16)8-15-9-22-18(26-15)14-5-3-7-23(11-14)19(24)17-10-21-12-25-17/h1-2,4,6,9-10,12,14H,3,5,7-8,11H2/t14-/m1/s1
InChIKeyYSXQMUMOFMDIQV-CQSZACIVSA-N
MW371.82 g/mol
LogP3.93
Rot. Bonds4

About [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone

[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 125022777) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID125022777
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1
InChIInChI=1S/C19H18ClN3O3/c20-16-6-2-1-4-13(16)8-15-9-22-18(26-15)14-5-3-7-23(11-14)19(24)17-10-21-12-25-17/h1-2,4,6,9-10,12,14H,3,5,7-8,11H2/t14-/m1/s1
InChIKeyYSXQMUMOFMDIQV-CQSZACIVSA-N
XLogP3.93
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 125010271
[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125020505
[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125020504
[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110119845
[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124976563
[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 124996549
1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110119758
1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 125020901
1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 125020902
N-[5-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 125027285
1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(1,1-dioxothiazinan-2-yl)ethanone
CID 125009831
1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 125013521

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 125022777) is [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1.
What is the InChIKey of [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is YSXQMUMOFMDIQV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-16-6-2-1-4-13(16)8-15-9-22-18(26-15)14-5-3-7-23(11-14)19(24)17-10-21-12-25-17/h1-2,4,6,9-10,12,14H,3,5,7-8,11H2/t14-/m1/s1.
What are the key properties of [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 371.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 125022777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).