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

C21H23N3O4 — CID 110120027

IUPAC[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCOc1ccc(Cc2cnc(C3CCCN(C(=O)c4ocnc4C)C3)o2)cc1
InChIInChI=1S/C21H23N3O4/c1-14-19(27-13-23-14)21(25)24-9-3-4-16(12-24)20-22-11-18(28-20)10-15-5-7-17(26-2)8-6-15/h5-8,11,13,16H,3-4,9-10,12H2,1-2H3
InChIKeyWKYLNEAIPOXMHT-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.59
Rot. Bonds5

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

[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 110120027) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID110120027
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCOc1ccc(Cc2cnc(C3CCCN(C(=O)c4ocnc4C)C3)o2)cc1
InChIInChI=1S/C21H23N3O4/c1-14-19(27-13-23-14)21(25)24-9-3-4-16(12-24)20-22-11-18(28-20)10-15-5-7-17(26-2)8-6-15/h5-8,11,13,16H,3-4,9-10,12H2,1-2H3
InChIKeyWKYLNEAIPOXMHT-UHFFFAOYSA-N
XLogP3.59
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124998433
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124957437
[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125023195
N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 124999385
2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125009758
6-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124950299
[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 125003624
(2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779855
[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110120041
[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 124940538
2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119404
[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124949968

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 110120027) is [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is COc1ccc(Cc2cnc(C3CCCN(C(=O)c4ocnc4C)C3)o2)cc1.
What is the InChIKey of [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is WKYLNEAIPOXMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-19(27-13-23-14)21(25)24-9-3-4-16(12-24)20-22-11-18(28-20)10-15-5-7-17(26-2)8-6-15/h5-8,11,13,16H,3-4,9-10,12H2,1-2H3.
What are the key properties of [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 381.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110120027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).