5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole

C18H17N3O2 — CID 153483601

IUPAC5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
SMILESc1ccc(COc2ccc(-c3n[nH]c(C4COC4)n3)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-4-13(5-3-1)10-23-16-8-6-14(7-9-16)17-19-18(21-20-17)15-11-22-12-15/h1-9,15H,10-12H2,(H,19,20,21)
InChIKeyGJNABVSWZXLXAW-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.16
Rot. Bonds5

About 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole

5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole (PubChem CID 153483601) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
PubChem CID153483601
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
SMILESc1ccc(COc2ccc(-c3n[nH]c(C4COC4)n3)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-4-13(5-3-1)10-23-16-8-6-14(7-9-16)17-19-18(21-20-17)15-11-22-12-15/h1-9,15H,10-12H2,(H,19,20,21)
InChIKeyGJNABVSWZXLXAW-UHFFFAOYSA-N
XLogP3.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146533306
5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146512227
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 6464068
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008072
5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90368196
9-methyl-7-(4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971626
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole (CID 153483601) is 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole is c1ccc(COc2ccc(-c3n[nH]c(C4COC4)n3)cc2)cc1.
What is the InChIKey of 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is GJNABVSWZXLXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-4-13(5-3-1)10-23-16-8-6-14(7-9-16)17-19-18(21-20-17)15-11-22-12-15/h1-9,15H,10-12H2,(H,19,20,21).
What are the key properties of 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 307.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 153483601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).