1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

C14H18FN3O — CID 63347983

IUPAC1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCCC(Cc1nc(-c2ccc(F)cc2)no1)NC
InChIInChI=1S/C14H18FN3O/c1-3-4-12(16-2)9-13-17-14(18-19-13)10-5-7-11(15)8-6-10/h5-8,12,16H,3-4,9H2,1-2H3
InChIKeyBNRCVSXAPNMSMS-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.81
Rot. Bonds6

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

1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 63347983) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID63347983
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCCC(Cc1nc(-c2ccc(F)cc2)no1)NC
InChIInChI=1S/C14H18FN3O/c1-3-4-12(16-2)9-13-17-14(18-19-13)10-5-7-11(15)8-6-10/h5-8,12,16H,3-4,9H2,1-2H3
InChIKeyBNRCVSXAPNMSMS-UHFFFAOYSA-N
XLogP2.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 106850061
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63350300
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107924504
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107282915
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348390
N-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 81147624
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65198229
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63349041
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79712947
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 63350475
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 63347983) is 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCCC(Cc1nc(-c2ccc(F)cc2)no1)NC.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is BNRCVSXAPNMSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-4-12(16-2)9-13-17-14(18-19-13)10-5-7-11(15)8-6-10/h5-8,12,16H,3-4,9H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 63347983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).