N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine

C14H15F2N3O — CID 51076927

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(F)c(F)c1)Cc1nc(C2CC2)no1
InChIInChI=1S/C14H15F2N3O/c1-19(7-9-2-5-11(15)12(16)6-9)8-13-17-14(18-20-13)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyNYWJBWFIZCAJAY-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.86
Rot. Bonds5

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine (PubChem CID 51076927) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine
PubChem CID51076927
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(F)c(F)c1)Cc1nc(C2CC2)no1
InChIInChI=1S/C14H15F2N3O/c1-19(7-9-2-5-11(15)12(16)6-9)8-13-17-14(18-20-13)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyNYWJBWFIZCAJAY-UHFFFAOYSA-N
XLogP2.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine (CID 51076927) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine is CN(Cc1ccc(F)c(F)c1)Cc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is NYWJBWFIZCAJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-19(7-9-2-5-11(15)12(16)6-9)8-13-17-14(18-20-13)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 279.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 51076927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).