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

C14H15F2N3O — CID 61496275

IUPAC1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESFc1cc(F)cc(Cc2noc(CNCC3CC3)n2)c1
InChIInChI=1S/C14H15F2N3O/c15-11-3-10(4-12(16)6-11)5-13-18-14(20-19-13)8-17-7-9-1-2-9/h3-4,6,9,17H,1-2,5,7-8H2
InChIKeyFJLAVWUGAWHCGD-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.44
Rot. Bonds6

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

1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 61496275) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID61496275
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESFc1cc(F)cc(Cc2noc(CNCC3CC3)n2)c1
InChIInChI=1S/C14H15F2N3O/c15-11-3-10(4-12(16)6-11)5-13-18-14(20-19-13)8-17-7-9-1-2-9/h3-4,6,9,17H,1-2,5,7-8H2
InChIKeyFJLAVWUGAWHCGD-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine with MolForge

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Related Compounds

1-cyclopropyl-N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 120893699
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846485
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 54959365
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
CID 65133564
1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 62387570
4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532558
1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667284
4-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201042
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 43655500

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 61496275) is 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine is Fc1cc(F)cc(Cc2noc(CNCC3CC3)n2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is FJLAVWUGAWHCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-11-3-10(4-12(16)6-11)5-13-18-14(20-19-13)8-17-7-9-1-2-9/h3-4,6,9,17H,1-2,5,7-8H2.
What are the key properties of 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 279.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 61496275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).