1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine

C14H16ClN3O2 — CID 114318867

IUPAC1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C14H16ClN3O2/c1-16-7-10-11(15)3-2-4-12(10)19-8-13-17-14(18-20-13)9-5-6-9/h2-4,9,16H,5-8H2,1H3
InChIKeyUQBZGLGFQUMJLI-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.90
Rot. Bonds6

About 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine

1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 114318867) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID114318867
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C14H16ClN3O2/c1-16-7-10-11(15)3-2-4-12(10)19-8-13-17-14(18-20-13)9-5-6-9/h2-4,9,16H,5-8H2,1H3
InChIKeyUQBZGLGFQUMJLI-UHFFFAOYSA-N
XLogP2.90
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320504
2-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 114321572
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114319883
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443640
1-[3,5-dibromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741811
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 61496143
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 61496080
(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931160
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
CID 86261805
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096386
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320180

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine (CID 114318867) is 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OCc1nc(C2CC2)no1.
What is the InChIKey of 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is UQBZGLGFQUMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-16-7-10-11(15)3-2-4-12(10)19-8-13-17-14(18-20-13)9-5-6-9/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 293.75 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114318867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).