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

C14H18ClN3O3 — CID 114320143

IUPACN-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Cl)cccc1OCc1noc(C)n1
InChIInChI=1S/C14H18ClN3O3/c1-10-17-14(18-21-10)9-20-13-5-3-4-12(15)11(13)8-16-6-7-19-2/h3-5,16H,6-9H2,1-2H3
InChIKeyZULVMGOXRNGGSK-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.35
Rot. Bonds8

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

N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 114320143) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID114320143
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Cl)cccc1OCc1noc(C)n1
InChIInChI=1S/C14H18ClN3O3/c1-10-17-14(18-21-10)9-20-13-5-3-4-12(15)11(13)8-16-6-7-19-2/h3-5,16H,6-9H2,1-2H3
InChIKeyZULVMGOXRNGGSK-UHFFFAOYSA-N
XLogP2.35
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320180
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954899
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 114321504
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
N-[[2-chloro-6-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115978986
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953089
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 114320203
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881221
N-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 120893530
N-[[2-chloro-6-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320108
N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319554

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 114320143) is N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1c(Cl)cccc1OCc1noc(C)n1.
What is the InChIKey of N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is ZULVMGOXRNGGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-10-17-14(18-21-10)9-20-13-5-3-4-12(15)11(13)8-16-6-7-19-2/h3-5,16H,6-9H2,1-2H3.
What are the key properties of N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 311.77 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114320143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).