2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol

C22H22N4O3 — CID 155537818

IUPAC2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESCCCc1c(-c2nc(-c3ccc(C(O)CN)cc3)no2)noc1-c1ccccc1
InChIInChI=1S/C22H22N4O3/c1-2-6-17-19(25-28-20(17)15-7-4-3-5-8-15)22-24-21(26-29-22)16-11-9-14(10-12-16)18(27)13-23/h3-5,7-12,18,27H,2,6,13,23H2,1H3
InChIKeyVGOJUAZBTMIFKA-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.00
Rot. Bonds7

About 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol

2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol (PubChem CID 155537818) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
PubChem CID155537818
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESCCCc1c(-c2nc(-c3ccc(C(O)CN)cc3)no2)noc1-c1ccccc1
InChIInChI=1S/C22H22N4O3/c1-2-6-17-19(25-28-20(17)15-7-4-3-5-8-15)22-24-21(26-29-22)16-11-9-14(10-12-16)18(27)13-23/h3-5,7-12,18,27H,2,6,13,23H2,1H3
InChIKeyVGOJUAZBTMIFKA-UHFFFAOYSA-N
XLogP4.00
TPSA111.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol (CID 155537818) is 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol is CCCc1c(-c2nc(-c3ccc(C(O)CN)cc3)no2)noc1-c1ccccc1.
What is the InChIKey of 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The InChIKey is VGOJUAZBTMIFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-6-17-19(25-28-20(17)15-7-4-3-5-8-15)22-24-21(26-29-22)16-11-9-14(10-12-16)18(27)13-23/h3-5,7-12,18,27H,2,6,13,23H2,1H3.
What are the key properties of 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol has a molecular weight of 390.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol is sourced from PubChem (CID 155537818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).