N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine

C17H18ClN3O3 — CID 52601883

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCN(Cc1ccco1)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H18ClN3O3/c1-22-10-8-21(11-13-5-4-9-23-13)12-16-19-20-17(24-16)14-6-2-3-7-15(14)18/h2-7,9H,8,10-12H2,1H3
InChIKeyMZMBZAMHSGALAP-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.63
Rot. Bonds8

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine (PubChem CID 52601883) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
PubChem CID52601883
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCN(Cc1ccco1)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H18ClN3O3/c1-22-10-8-21(11-13-5-4-9-23-13)12-16-19-20-17(24-16)14-6-2-3-7-15(14)18/h2-7,9H,8,10-12H2,1H3
InChIKeyMZMBZAMHSGALAP-UHFFFAOYSA-N
XLogP3.63
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine with MolForge

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Related Compounds

2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103173
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine
CID 78826611
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 110652114
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 51171811
propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
CID 78825656
7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 78825284
N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 26396145
N-(furan-2-ylmethyl)-2-methoxy-N-[(2-pyrimidin-5-ylpyrimidin-5-yl)methyl]ethanamine
CID 166276030
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 110319665
N-(tert-butylcarbamoyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 78825504
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 78825031

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine (CID 52601883) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine is COCCN(Cc1ccco1)Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The InChIKey is MZMBZAMHSGALAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-22-10-8-21(11-13-5-4-9-23-13)12-16-19-20-17(24-16)14-6-2-3-7-15(14)18/h2-7,9H,8,10-12H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine has a molecular weight of 347.80 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 52601883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).