4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C14H18FN3O — CID 104685803

IUPAC4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCc1cc(-c2noc(C(C)CCCN)n2)ccc1F
InChIInChI=1S/C14H18FN3O/c1-9(4-3-7-16)14-17-13(18-19-14)11-5-6-12(15)10(2)8-11/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyNILWXSSRNRBXFS-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.03
Rot. Bonds5

About 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104685803) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104685803
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCc1cc(-c2noc(C(C)CCCN)n2)ccc1F
InChIInChI=1S/C14H18FN3O/c1-9(4-3-7-16)14-17-13(18-19-14)11-5-6-12(15)10(2)8-11/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyNILWXSSRNRBXFS-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1945989
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 1966104
N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2983721
N-cyclopentyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 3160269
N-cyclohexyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160344
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
Slf1081851
CID 164517202
N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 667320
5-Cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 889651
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
CID 3239188
N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3240526
N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
CID 46190753

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104685803) is 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is Cc1cc(-c2noc(C(C)CCCN)n2)ccc1F.
What is the InChIKey of 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is NILWXSSRNRBXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(4-3-7-16)14-17-13(18-19-14)11-5-6-12(15)10(2)8-11/h5-6,8-9H,3-4,7,16H2,1-2H3.
What are the key properties of 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104685803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).