1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine

C10H11ClN2O — CID 82230581

IUPAC1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2cc(C)c(Cl)cc2o1
InChIInChI=1S/C10H11ClN2O/c1-6-3-8-9(4-7(6)11)14-10(13-8)5-12-2/h3-4,12H,5H2,1-2H3
InChIKeyLFOYVKCQULAWSE-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.51
Rot. Bonds2

About 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine

1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine (PubChem CID 82230581) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
PubChem CID82230581
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2cc(C)c(Cl)cc2o1
InChIInChI=1S/C10H11ClN2O/c1-6-3-8-9(4-7(6)11)14-10(13-8)5-12-2/h3-4,12H,5H2,1-2H3
InChIKeyLFOYVKCQULAWSE-UHFFFAOYSA-N
XLogP2.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine (CID 82230581) is 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine is CNCc1nc2cc(C)c(Cl)cc2o1.
What is the InChIKey of 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The InChIKey is LFOYVKCQULAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6-3-8-9(4-7(6)11)14-10(13-8)5-12-2/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine has a molecular weight of 210.66 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 82230581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).