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

C20H25N3O3 — CID 92628344

IUPAC[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC[C@@H](N4CCCC4)C3)on2)cc1
InChIInChI=1S/C20H25N3O3/c1-25-17-8-6-15(7-9-17)18-13-19(26-21-18)20(24)23-12-4-5-16(14-23)22-10-2-3-11-22/h6-9,13,16H,2-5,10-12,14H2,1H3/t16-/m1/s1
InChIKeyYZBARBCLJUDFGC-MRXNPFEDSA-N
MW355.44 g/mol
LogP3.05
Rot. Bonds4

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

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (PubChem CID 92628344) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
PubChem CID92628344
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC[C@@H](N4CCCC4)C3)on2)cc1
InChIInChI=1S/C20H25N3O3/c1-25-17-8-6-15(7-9-17)18-13-19(26-21-18)20(24)23-12-4-5-16(14-23)22-10-2-3-11-22/h6-9,13,16H,2-5,10-12,14H2,1H3/t16-/m1/s1
InChIKeyYZBARBCLJUDFGC-MRXNPFEDSA-N
XLogP3.05
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 51853158
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 51611901
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51612927
[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119593498
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 136579670
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 86823293
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46974804
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (CID 92628344) is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC[C@@H](N4CCCC4)C3)on2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The InChIKey is YZBARBCLJUDFGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-8-6-15(7-9-17)18-13-19(26-21-18)20(24)23-12-4-5-16(14-23)22-10-2-3-11-22/h6-9,13,16H,2-5,10-12,14H2,1H3/t16-/m1/s1.
What are the key properties of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 92628344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).