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

C14H16ClN5O — CID 77096902

IUPAC1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CN(C)Cc2nn(C)c3cccc(Cl)c23)o1
InChIInChI=1S/C14H16ClN5O/c1-9-16-17-13(21-9)8-19(2)7-11-14-10(15)5-4-6-12(14)20(3)18-11/h4-6H,7-8H2,1-3H3
InChIKeyJEQLTCUUBWLBMA-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.55
Rot. Bonds4

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

1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 77096902) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID77096902
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CN(C)Cc2nn(C)c3cccc(Cl)c23)o1
InChIInChI=1S/C14H16ClN5O/c1-9-16-17-13(21-9)8-19(2)7-11-14-10(15)5-4-6-12(14)20(3)18-11/h4-6H,7-8H2,1-3H3
InChIKeyJEQLTCUUBWLBMA-UHFFFAOYSA-N
XLogP2.55
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 77096902) is 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1nnc(CN(C)Cc2nn(C)c3cccc(Cl)c23)o1.
What is the InChIKey of 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is JEQLTCUUBWLBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-9-16-17-13(21-9)8-19(2)7-11-14-10(15)5-4-6-12(14)20(3)18-11/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 305.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylindazol-3-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 77096902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).