1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol

C15H18ClN3O2 — CID 24714583

IUPAC1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol
SMILESC=CCCC(O)CNCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O2/c1-2-3-4-13(20)9-17-10-14-18-15(19-21-14)11-5-7-12(16)8-6-11/h2,5-8,13,17,20H,1,3-4,9-10H2
InChIKeyLRGNUZWQAAOHHY-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.81
Rot. Bonds8

About 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol (PubChem CID 24714583) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol
PubChem CID24714583
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol
SMILESC=CCCC(O)CNCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O2/c1-2-3-4-13(20)9-17-10-14-18-15(19-21-14)11-5-7-12(16)8-6-11/h2,5-8,13,17,20H,1,3-4,9-10H2
InChIKeyLRGNUZWQAAOHHY-UHFFFAOYSA-N
XLogP2.81
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol
CID 93184163
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylbut-3-en-2-ol
CID 24714972
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 78914813
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 43466352
2-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672964
(2S)-2-but-3-enoxy-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 95233554
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 55201837
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 60672878
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol (CID 24714583) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol is C=CCCC(O)CNCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol?
The InChIKey is LRGNUZWQAAOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-2-3-4-13(20)9-17-10-14-18-15(19-21-14)11-5-7-12(16)8-6-11/h2,5-8,13,17,20H,1,3-4,9-10H2.
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol?
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol has a molecular weight of 307.78 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol is sourced from PubChem (CID 24714583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).