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

C19H21N5O4 — CID 56911451

IUPAC[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCOc1cccc(-c2cc(CC3(O)CCN(C(=O)c4cn[nH]n4)CC3)on2)c1
InChIInChI=1S/C19H21N5O4/c1-27-14-4-2-3-13(9-14)16-10-15(28-22-16)11-19(26)5-7-24(8-6-19)18(25)17-12-20-23-21-17/h2-4,9-10,12,26H,5-8,11H2,1H3,(H,20,21,23)
InChIKeyVZJXEZQGFBFLSQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.68
Rot. Bonds5

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

[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 56911451) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID56911451
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCOc1cccc(-c2cc(CC3(O)CCN(C(=O)c4cn[nH]n4)CC3)on2)c1
InChIInChI=1S/C19H21N5O4/c1-27-14-4-2-3-13(9-14)16-10-15(28-22-16)11-19(26)5-7-24(8-6-19)18(25)17-12-20-23-21-17/h2-4,9-10,12,26H,5-8,11H2,1H3,(H,20,21,23)
InChIKeyVZJXEZQGFBFLSQ-UHFFFAOYSA-N
XLogP1.68
TPSA117.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 91828345
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2R)-2-methylbutyl]piperidin-4-ol
CID 42383406
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol
CID 42565711
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 26325119
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 26328797
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 26326655
1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 28685301
8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46975893
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855453
[3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97440594
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone (CID 56911451) is [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone is COc1cccc(-c2cc(CC3(O)CCN(C(=O)c4cn[nH]n4)CC3)on2)c1.
What is the InChIKey of [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is VZJXEZQGFBFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-27-14-4-2-3-13(9-14)16-10-15(28-22-16)11-19(26)5-7-24(8-6-19)18(25)17-12-20-23-21-17/h2-4,9-10,12,26H,5-8,11H2,1H3,(H,20,21,23).
What are the key properties of [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone?
[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 383.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 56911451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).