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

C23H25N3O3 — CID 83285947

IUPAC[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3c(C)noc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-21(22(29-25-16)19-7-11-24-12-8-19)23(27)26-13-9-18(10-14-26)15-17-3-5-20(28-2)6-4-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3
InChIKeyRBTQMMAPFOSNIQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.15
Rot. Bonds5

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

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone (PubChem CID 83285947) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone
PubChem CID83285947
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3c(C)noc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-21(22(29-25-16)19-7-11-24-12-8-19)23(27)26-13-9-18(10-14-26)15-17-3-5-20(28-2)6-4-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3
InChIKeyRBTQMMAPFOSNIQ-UHFFFAOYSA-N
XLogP4.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170072
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135115014
1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 126791219
(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619402
(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119945201
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-one
CID 3228083
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 91888761
[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135095143
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 110912966

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone (CID 83285947) is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone is COc1ccc(CC2CCN(C(=O)c3c(C)noc3-c3ccncc3)CC2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is RBTQMMAPFOSNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-21(22(29-25-16)19-7-11-24-12-8-19)23(27)26-13-9-18(10-14-26)15-17-3-5-20(28-2)6-4-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3.
What are the key properties of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone?
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 391.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 83285947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).