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

C21H20ClN3O3 — CID 110121324

IUPAC[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCCC1c1ncc(Cc2ccccc2Cl)o1
InChIInChI=1S/C21H20ClN3O3/c1-27-19-16(7-4-10-23-19)21(26)25-11-5-9-18(25)20-24-13-15(28-20)12-14-6-2-3-8-17(14)22/h2-4,6-8,10,13,18H,5,9,11-12H2,1H3
InChIKeyBWDRJWQIPFWHLK-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.30
Rot. Bonds5

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

[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 110121324) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID110121324
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCCC1c1ncc(Cc2ccccc2Cl)o1
InChIInChI=1S/C21H20ClN3O3/c1-27-19-16(7-4-10-23-19)21(26)25-11-5-9-18(25)20-24-13-15(28-20)12-14-6-2-3-8-17(14)22/h2-4,6-8,10,13,18H,5,9,11-12H2,1H3
InChIKeyBWDRJWQIPFWHLK-UHFFFAOYSA-N
XLogP4.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 155902667
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110120572
[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 125012221
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 110121246
1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110121378
1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110121363
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124987887
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 110121409
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 125013086
[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 125018162
N-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110120557
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 110120822

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 110121324) is [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCCC1c1ncc(Cc2ccccc2Cl)o1.
What is the InChIKey of [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is BWDRJWQIPFWHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-19-16(7-4-10-23-19)21(26)25-11-5-9-18(25)20-24-13-15(28-20)12-14-6-2-3-8-17(14)22/h2-4,6-8,10,13,18H,5,9,11-12H2,1H3.
What are the key properties of [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 397.86 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 110121324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).