4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine

C15H18BrN3O2 — CID 66254034

IUPAC4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C15H18BrN3O2/c1-2-6-17-13-9-20-8-12(13)15-18-14(19-21-15)10-4-3-5-11(16)7-10/h3-5,7,12-13,17H,2,6,8-9H2,1H3
InChIKeyIGWUJQFZBGHKAW-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.98
Rot. Bonds5

About 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine

4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (PubChem CID 66254034) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
PubChem CID66254034
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C15H18BrN3O2/c1-2-6-17-13-9-20-8-12(13)15-18-14(19-21-15)10-4-3-5-11(16)7-10/h3-5,7,12-13,17H,2,6,8-9H2,1H3
InChIKeyIGWUJQFZBGHKAW-UHFFFAOYSA-N
XLogP2.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66251331
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253070
N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 136984474
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252106
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63346258
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
N-propyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82007546
4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
CID 116807168
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252490
N-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474289
N-propyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474293
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253458

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (CID 66254034) is 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is CCCNC1COCC1c1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The InChIKey is IGWUJQFZBGHKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-2-6-17-13-9-20-8-12(13)15-18-14(19-21-15)10-4-3-5-11(16)7-10/h3-5,7,12-13,17H,2,6,8-9H2,1H3.
What are the key properties of 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine has a molecular weight of 352.23 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66254034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).