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

C13H16ClN3O3 — CID 60878921

IUPAC1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)c(OCc2nnc(C)o2)c(OC)c1
InChIInChI=1S/C13H16ClN3O3/c1-8-16-17-12(20-8)7-19-13-10(14)4-9(6-15-2)5-11(13)18-3/h4-5,15H,6-7H2,1-3H3
InChIKeyOZYMMKBAGPFOCS-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.34
Rot. Bonds6

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

1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 60878921) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID60878921
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)c(OCc2nnc(C)o2)c(OC)c1
InChIInChI=1S/C13H16ClN3O3/c1-8-16-17-12(20-8)7-19-13-10(14)4-9(6-15-2)5-11(13)18-3/h4-5,15H,6-7H2,1-3H3
InChIKeyOZYMMKBAGPFOCS-UHFFFAOYSA-N
XLogP2.34
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine with MolForge

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Related Compounds

[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 28898150
1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 43524998
[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60887910
1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60883695
1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 17290121
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61269447
[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 43622608
1-[3-chloro-5-methoxy-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61492912
1-(3-chloro-5-methoxy-4-octoxyphenyl)-N-methylmethanamine
CID 43276494
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60880953

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 60878921) is 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Cl)c(OCc2nnc(C)o2)c(OC)c1.
What is the InChIKey of 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is OZYMMKBAGPFOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-8-16-17-12(20-8)7-19-13-10(14)4-9(6-15-2)5-11(13)18-3/h4-5,15H,6-7H2,1-3H3.
What are the key properties of 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 297.74 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 60878921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).