(4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

C23H22N6O3 — CID 42533021

IUPAC(4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C23H22N6O3/c30-23(28-11-7-18(8-12-28)17-5-9-24-10-6-17)22-13-21(32-27-22)14-31-20-3-1-19(2-4-20)29-16-25-15-26-29/h1-6,9-10,13,15-16,18H,7-8,11-12,14H2
InChIKeyUCRBTMOCGSNFIM-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.25
Rot. Bonds6

About (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

(4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 42533021) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
PubChem CID42533021
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name(4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C23H22N6O3/c30-23(28-11-7-18(8-12-28)17-5-9-24-10-6-17)22-13-21(32-27-22)14-31-20-3-1-19(2-4-20)29-16-25-15-26-29/h1-6,9-10,13,15-16,18H,7-8,11-12,14H2
InChIKeyUCRBTMOCGSNFIM-UHFFFAOYSA-N
XLogP3.25
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 56705321
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 42565982
(3-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 24790199
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 25383954
[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 24790866
[(2R)-2-pyridin-2-ylpiperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 25289044
N-(2,3-dihydro-1H-inden-2-yl)-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 56718711
N-methyl-N-[(3R)-oxolan-3-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 42594495
N-(1-phenylcyclopropyl)-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 42113604
N-[(2R)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 95230596
N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 95230595
N-(3-hydroxybutyl)-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 56758564

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (CID 42533021) is (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is UCRBTMOCGSNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-23(28-11-7-18(8-12-28)17-5-9-24-10-6-17)22-13-21(32-27-22)14-31-20-3-1-19(2-4-20)29-16-25-15-26-29/h1-6,9-10,13,15-16,18H,7-8,11-12,14H2.
What are the key properties of (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
(4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 430.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 42533021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).