1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine

C12H15N3O — CID 43630132

IUPAC1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCC(N)c1nc(-c2ccccc2)no1
InChIInChI=1S/C12H15N3O/c1-2-6-10(13)12-14-11(15-16-12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,13H2,1H3
InChIKeyZWXMXTFGVNKRCN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.54
Rot. Bonds4

About 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine

1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 43630132) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID43630132
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCC(N)c1nc(-c2ccccc2)no1
InChIInChI=1S/C12H15N3O/c1-2-6-10(13)12-14-11(15-16-12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,13H2,1H3
InChIKeyZWXMXTFGVNKRCN-UHFFFAOYSA-N
XLogP2.54
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630127
3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62478427
3-methylsulfanyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43103233
(1R)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832392
(1R)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565672
(1R)-1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565674
2-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81077940
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81491985
(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565281
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565243

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 43630132) is 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCCC(N)c1nc(-c2ccccc2)no1.
What is the InChIKey of 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is ZWXMXTFGVNKRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-6-10(13)12-14-11(15-16-12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,13H2,1H3.
What are the key properties of 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 217.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 43630132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).