1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole

C20H20FN3O — CID 95140897

IUPAC1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole
SMILESFc1ccccc1-n1nc(CCc2ccccc2)nc1[C@@H]1CCCO1
InChIInChI=1S/C20H20FN3O/c21-16-9-4-5-10-17(16)24-20(18-11-6-14-25-18)22-19(23-24)13-12-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2/t18-/m0/s1
InChIKeyAQKVQTFIXDSBDG-SFHVURJKSA-N
MW337.40 g/mol
LogP4.04
Rot. Bonds5

About 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole

1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole (PubChem CID 95140897) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole
PubChem CID95140897
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole
SMILESFc1ccccc1-n1nc(CCc2ccccc2)nc1[C@@H]1CCCO1
InChIInChI=1S/C20H20FN3O/c21-16-9-4-5-10-17(16)24-20(18-11-6-14-25-18)22-19(23-24)13-12-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2/t18-/m0/s1
InChIKeyAQKVQTFIXDSBDG-SFHVURJKSA-N
XLogP4.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole?
The IUPAC name of 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole (CID 95140897) is 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole is Fc1ccccc1-n1nc(CCc2ccccc2)nc1[C@@H]1CCCO1.
What is the InChIKey of 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole?
The InChIKey is AQKVQTFIXDSBDG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-9-4-5-10-17(16)24-20(18-11-6-14-25-18)22-19(23-24)13-12-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2/t18-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole?
1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole has a molecular weight of 337.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-[(2S)-oxolan-2-yl]-3-(2-phenylethyl)-1,2,4-triazole is sourced from PubChem (CID 95140897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).