[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine

C11H12ClN3O2 — CID 112607605

IUPAC[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2c(Cl)cccc2CN)no1
InChIInChI=1S/C11H12ClN3O2/c1-7-14-10(15-17-7)6-16-11-8(5-13)3-2-4-9(11)12/h2-4H,5-6,13H2,1H3
InChIKeyRMRSFQTZXBIZBD-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.07
Rot. Bonds4

About [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine

[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 112607605) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
PubChem CID112607605
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2c(Cl)cccc2CN)no1
InChIInChI=1S/C11H12ClN3O2/c1-7-14-10(15-17-7)6-16-11-8(5-13)3-2-4-9(11)12/h2-4H,5-6,13H2,1H3
InChIKeyRMRSFQTZXBIZBD-UHFFFAOYSA-N
XLogP2.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953089
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954899
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 114321504
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
CID 112607840
[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 112612706
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 61497106
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (CID 112607605) is [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is Cc1nc(COc2c(Cl)cccc2CN)no1.
What is the InChIKey of [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is RMRSFQTZXBIZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7-14-10(15-17-7)6-16-11-8(5-13)3-2-4-9(11)12/h2-4H,5-6,13H2,1H3.
What are the key properties of [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 253.69 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).