1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine

C18H19N3O — CID 16190159

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCN(CC1=CC=CC2=CC=CC=C21)CC3=NC(=NO3)C4CC4
InChIInChI=1S/C18H19N3O/c1-21(12-17-19-18(20-22-17)14-9-10-14)11-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,14H,9-12H2,1H3
InChIKeyXNWXJEVHGHVBGO-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.30
Rot. Bonds5

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

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine (PubChem CID 16190159) has the molecular formula C18H19N3O and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine
PubChem CID16190159
Molecular FormulaC18H19N3O
Molecular Weight293.40 g/mol
Exact Mass293.15
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCN(CC1=CC=CC2=CC=CC=C21)CC3=NC(=NO3)C4CC4
InChIInChI=1S/C18H19N3O/c1-21(12-17-19-18(20-22-17)14-9-10-14)11-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,14H,9-12H2,1H3
InChIKeyXNWXJEVHGHVBGO-UHFFFAOYSA-N
XLogP3.30
TPSA42.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity373

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzyl{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}amino)ethanol
CID 16187225
(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methoxy-N-methylethanamine
CID 23724001
4-Benzyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
CID 750953
N-isopropyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenylpropanamide
CID 1250310
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenyl-N-(propan-2-yl)acetamide
CID 9550761
2-(3,4-dihydro-2(1H)-isoquinolinyl)-N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylethanamine
CID 16187822
1-(Cyclopropylmethyl)-4-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 16189935
1-(3-Fluorobenzyl)-4-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 16190939
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine
CID 16191682
N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(2-methoxyethyl)-2-propanamine
CID 23723585

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine (CID 16190159) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine is CN(CC1=CC=CC2=CC=CC=C21)CC3=NC(=NO3)C4CC4.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine?
The InChIKey is XNWXJEVHGHVBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(12-17-19-18(20-22-17)14-9-10-14)11-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,14H,9-12H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine?
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine has a molecular weight of 293.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine is sourced from PubChem (CID 16190159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).