5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole

C16H17N5O3 — CID 154870100

IUPAC5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3n[nH]nc3-c3ccccc3)no2)CCOCC1
InChIInChI=1S/C16H17N5O3/c1-22-16(7-9-23-10-8-16)15-17-14(20-24-15)13-12(18-21-19-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,19,21)
InChIKeyIZQWARGPXWYRDP-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.17
Rot. Bonds4

About 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole

5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole (PubChem CID 154870100) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole
PubChem CID154870100
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3n[nH]nc3-c3ccccc3)no2)CCOCC1
InChIInChI=1S/C16H17N5O3/c1-22-16(7-9-23-10-8-16)15-17-14(20-24-15)13-12(18-21-19-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,19,21)
InChIKeyIZQWARGPXWYRDP-UHFFFAOYSA-N
XLogP2.17
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline
CID 126808405
3-(bromomethyl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 164649560
3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
CID 100656099
4-methoxy-4-phenyloxane
CID 21049814
3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 154745636
3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 119999951
4,5-diphenyl-2H-triazole
CID 613500
5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 139002479
[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440111
3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126805804
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947729

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole (CID 154870100) is 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole is COC1(c2nc(-c3n[nH]nc3-c3ccccc3)no2)CCOCC1.
What is the InChIKey of 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is IZQWARGPXWYRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-22-16(7-9-23-10-8-16)15-17-14(20-24-15)13-12(18-21-19-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,19,21).
What are the key properties of 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole?
5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 327.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154870100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).