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

C20H23N5O3 — CID 24793114

IUPAC(2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C20H23N5O3/c1-2-15-5-3-4-10-24(15)20(26)19-11-18(28-23-19)12-27-17-8-6-16(7-9-17)25-14-21-13-22-25/h6-9,11,13-15H,2-5,10,12H2,1H3
InChIKeyGIDNASQVRGVIGV-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.24
Rot. Bonds6

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

(2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24793114) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
PubChem CID24793114
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C20H23N5O3/c1-2-15-5-3-4-10-24(15)20(26)19-11-18(28-23-19)12-27-17-8-6-16(7-9-17)25-14-21-13-22-25/h6-9,11,13-15H,2-5,10,12H2,1H3
InChIKeyGIDNASQVRGVIGV-UHFFFAOYSA-N
XLogP3.24
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (CID 24793114) is (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is CCC1CCCCN1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is GIDNASQVRGVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-15-5-3-4-10-24(15)20(26)19-11-18(28-23-19)12-27-17-8-6-16(7-9-17)25-14-21-13-22-25/h6-9,11,13-15H,2-5,10,12H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
(2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 381.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24793114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).