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

C22H21ClN2O3 — CID 124987887

IUPAC[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C22H21ClN2O3/c1-27-20-7-3-2-5-18(20)22(26)25-12-4-6-19(25)21-24-14-17(28-21)13-15-8-10-16(23)11-9-15/h2-3,5,7-11,14,19H,4,6,12-13H2,1H3/t19-/m1/s1
InChIKeyOJEMHTOXSKGUAQ-LJQANCHMSA-N
MW396.87 g/mol
LogP4.90
Rot. Bonds5

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

[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 124987887) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID124987887
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C22H21ClN2O3/c1-27-20-7-3-2-5-18(20)22(26)25-12-4-6-19(25)21-24-14-17(28-21)13-15-8-10-16(23)11-9-15/h2-3,5,7-11,14,19H,4,6,12-13H2,1H3/t19-/m1/s1
InChIKeyOJEMHTOXSKGUAQ-LJQANCHMSA-N
XLogP4.90
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 125013086
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124951328
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124969633
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 155983766
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 125020215
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124986148
[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]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124973012
[(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
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 110121324
1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 124992183

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 124987887) is [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is OJEMHTOXSKGUAQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-20-7-3-2-5-18(20)22(26)25-12-4-6-19(25)21-24-14-17(28-21)13-15-8-10-16(23)11-9-15/h2-3,5,7-11,14,19H,4,6,12-13H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 396.87 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 124987887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).