N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine

C10H12ClN3O — CID 83839740

IUPACN'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C10H12ClN3O/c1-14(5-4-12)10-13-8-6-7(11)2-3-9(8)15-10/h2-3,6H,4-5,12H2,1H3
InChIKeyFJDNYAHTMBAGRK-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.88
Rot. Bonds3

About N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine

N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 83839740) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
PubChem CID83839740
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C10H12ClN3O/c1-14(5-4-12)10-13-8-6-7(11)2-3-9(8)15-10/h2-3,6H,4-5,12H2,1H3
InChIKeyFJDNYAHTMBAGRK-UHFFFAOYSA-N
XLogP1.88
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine (CID 83839740) is N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine is CN(CCN)c1nc2cc(Cl)ccc2o1.
What is the InChIKey of N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is FJDNYAHTMBAGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-14(5-4-12)10-13-8-6-7(11)2-3-9(8)15-10/h2-3,6H,4-5,12H2,1H3.
What are the key properties of N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine?
N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 225.68 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83839740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).