N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C16H20ClN5O2 — CID 77082040

IUPACN-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1nc(COC)no1)Cc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C16H20ClN5O2/c1-4-22(9-15-18-14(10-23-3)20-24-15)8-12-16-11(17)6-5-7-13(16)21(2)19-12/h5-7H,4,8-10H2,1-3H3
InChIKeyZEUOPGNRVFRIRV-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.78
Rot. Bonds7

About N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 77082040) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID77082040
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1nc(COC)no1)Cc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C16H20ClN5O2/c1-4-22(9-15-18-14(10-23-3)20-24-15)8-12-16-11(17)6-5-7-13(16)21(2)19-12/h5-7H,4,8-10H2,1-3H3
InChIKeyZEUOPGNRVFRIRV-UHFFFAOYSA-N
XLogP2.78
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 46986114
2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid
CID 46992181
1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 77096902
N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 26326386
5-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 91839637
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 50984057
5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 46997067
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide
CID 46989332
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91787669
N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 88977391
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 119064447
N-ethyl-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 42509166

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 77082040) is N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCN(Cc1nc(COC)no1)Cc1nn(C)c2cccc(Cl)c12.
What is the InChIKey of N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is ZEUOPGNRVFRIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-4-22(9-15-18-14(10-23-3)20-24-15)8-12-16-11(17)6-5-7-13(16)21(2)19-12/h5-7H,4,8-10H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 349.82 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 77082040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).