1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C14H16FN3O — CID 62387570

IUPAC1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCc1ccc(F)cc1-c1noc(CNCC2CC2)n1
InChIInChI=1S/C14H16FN3O/c1-9-2-5-11(15)6-12(9)14-17-13(19-18-14)8-16-7-10-3-4-10/h2,5-6,10,16H,3-4,7-8H2,1H3
InChIKeyCSTWDTGTQLVUCO-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.68
Rot. Bonds5

About 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 62387570) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID62387570
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCc1ccc(F)cc1-c1noc(CNCC2CC2)n1
InChIInChI=1S/C14H16FN3O/c1-9-2-5-11(15)6-12(9)14-17-13(19-18-14)8-16-7-10-3-4-10/h2,5-6,10,16H,3-4,7-8H2,1H3
InChIKeyCSTWDTGTQLVUCO-UHFFFAOYSA-N
XLogP2.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 62387570) is 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is Cc1ccc(F)cc1-c1noc(CNCC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is CSTWDTGTQLVUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-2-5-11(15)6-12(9)14-17-13(19-18-14)8-16-7-10-3-4-10/h2,5-6,10,16H,3-4,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 62387570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).