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

C14H18ClN3O3 — CID 115954921

IUPACN-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(Cl)c1OCc1nonc1C
InChIInChI=1S/C14H18ClN3O3/c1-10-13(18-21-17-10)9-20-14-11(4-3-5-12(14)15)8-16-6-7-19-2/h3-5,16H,6-9H2,1-2H3
InChIKeyBSCKRPYKCBGJTO-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.35
Rot. Bonds8

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

N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 115954921) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID115954921
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(Cl)c1OCc1nonc1C
InChIInChI=1S/C14H18ClN3O3/c1-10-13(18-21-17-10)9-20-14-11(4-3-5-12(14)15)8-16-6-7-19-2/h3-5,16H,6-9H2,1-2H3
InChIKeyBSCKRPYKCBGJTO-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-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115954557
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954899
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954891
N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954879
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610606
N-[[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954964
N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 112610592
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608818
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
CID 115954979

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 115954921) is N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(Cl)c1OCc1nonc1C.
What is the InChIKey of N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is BSCKRPYKCBGJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-10-13(18-21-17-10)9-20-14-11(4-3-5-12(14)15)8-16-6-7-19-2/h3-5,16H,6-9H2,1-2H3.
What are the key properties of N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[3-chloro-2-[(4-methyl-1,2,5-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-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115954921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).