5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one

C17H25N3O3 — CID 175515941

IUPAC5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one
SMILESCCc1cc(CC)c(NCC(O)Cc2n[nH]c(=O)o2)c(CC)c1
InChIInChI=1S/C17H25N3O3/c1-4-11-7-12(5-2)16(13(6-3)8-11)18-10-14(21)9-15-19-20-17(22)23-15/h7-8,14,18,21H,4-6,9-10H2,1-3H3,(H,20,22)
InChIKeyWBHIKTKVRYAMJI-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.07
Rot. Bonds8

About 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one

5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 175515941) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID175515941
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one
SMILESCCc1cc(CC)c(NCC(O)Cc2n[nH]c(=O)o2)c(CC)c1
InChIInChI=1S/C17H25N3O3/c1-4-11-7-12(5-2)16(13(6-3)8-11)18-10-14(21)9-15-19-20-17(22)23-15/h7-8,14,18,21H,4-6,9-10H2,1-3H3,(H,20,22)
InChIKeyWBHIKTKVRYAMJI-UHFFFAOYSA-N
XLogP2.07
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one (CID 175515941) is 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one is CCc1cc(CC)c(NCC(O)Cc2n[nH]c(=O)o2)c(CC)c1.
What is the InChIKey of 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is WBHIKTKVRYAMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-11-7-12(5-2)16(13(6-3)8-11)18-10-14(21)9-15-19-20-17(22)23-15/h7-8,14,18,21H,4-6,9-10H2,1-3H3,(H,20,22).
What are the key properties of 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 319.41 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(2,4,6-triethylanilino)propyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 175515941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).