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

C20H30N6O3 — CID 72859045

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)on1
InChIInChI=1S/C20H30N6O3/c1-3-15-12-17(29-23-15)20(28)26-10-4-14(5-11-26)19-22-21-18(24(19)2)13-25-8-6-16(27)7-9-25/h12,14,16,27H,3-11,13H2,1-2H3
InChIKeyFNRMUBIBCCSAOP-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.34
Rot. Bonds5

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

(3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72859045) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72859045
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)on1
InChIInChI=1S/C20H30N6O3/c1-3-15-12-17(29-23-15)20(28)26-10-4-14(5-11-26)19-22-21-18(24(19)2)13-25-8-6-16(27)7-9-25/h12,14,16,27H,3-11,13H2,1-2H3
InChIKeyFNRMUBIBCCSAOP-UHFFFAOYSA-N
XLogP1.34
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

3-amino-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
CID 70732028
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70740331
2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]propane-1,3-diol
CID 70786811
1-[[4-methyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70751821
2-hydroxy-1-[(3S)-3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 95888795
1-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70739194
1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one
CID 72927664
1-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72870073
[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 72908429
[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 72920446
cycloheptyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70750964
[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-cyclopropylmethanone
CID 72907262

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72859045) is (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is FNRMUBIBCCSAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-3-15-12-17(29-23-15)20(28)26-10-4-14(5-11-26)19-22-21-18(24(19)2)13-25-8-6-16(27)7-9-25/h12,14,16,27H,3-11,13H2,1-2H3.
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 402.50 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72859045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).