4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one

C20H25N5O3 — CID 129007256

IUPAC4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one
SMILESCCn1c([C@H]2OCC[C@H]2c2ccccc2)nn(Cc2noc(C(C)C)n2)c1=O
InChIInChI=1S/C20H25N5O3/c1-4-24-18(17-15(10-11-27-17)14-8-6-5-7-9-14)22-25(20(24)26)12-16-21-19(13(2)3)28-23-16/h5-9,13,15,17H,4,10-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyUYYXDQVQXHKPST-RDJZCZTQSA-N
MW383.45 g/mol
LogP2.86
Rot. Bonds6

About 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one

4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one (PubChem CID 129007256) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one
PubChem CID129007256
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one
SMILESCCn1c([C@H]2OCC[C@H]2c2ccccc2)nn(Cc2noc(C(C)C)n2)c1=O
InChIInChI=1S/C20H25N5O3/c1-4-24-18(17-15(10-11-27-17)14-8-6-5-7-9-14)22-25(20(24)26)12-16-21-19(13(2)3)28-23-16/h5-9,13,15,17H,4,10-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyUYYXDQVQXHKPST-RDJZCZTQSA-N
XLogP2.86
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one (CID 129007256) is 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one is CCn1c([C@H]2OCC[C@H]2c2ccccc2)nn(Cc2noc(C(C)C)n2)c1=O.
What is the InChIKey of 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one?
The InChIKey is UYYXDQVQXHKPST-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-4-24-18(17-15(10-11-27-17)14-8-6-5-7-9-14)22-25(20(24)26)12-16-21-19(13(2)3)28-23-16/h5-9,13,15,17H,4,10-12H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one?
4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one has a molecular weight of 383.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 129007256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).