N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine

C11H15N3O — CID 83832889

IUPACN'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine
SMILESCc1ccc2oc(N(C)CCN)nc2c1
InChIInChI=1S/C11H15N3O/c1-8-3-4-10-9(7-8)13-11(15-10)14(2)6-5-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyVAUMIOUUJMONRT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.53
Rot. Bonds3

About N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine

N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine (PubChem CID 83832889) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine
PubChem CID83832889
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine
SMILESCc1ccc2oc(N(C)CCN)nc2c1
InChIInChI=1S/C11H15N3O/c1-8-3-4-10-9(7-8)13-11(15-10)14(2)6-5-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyVAUMIOUUJMONRT-UHFFFAOYSA-N
XLogP1.53
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
CID 83839740
N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine
CID 53376845
2-[methyl-(5-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83841395
N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
CID 83834384
N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine
CID 83830097
N'-(5-methyl-1,3-benzoxazol-2-yl)propane-1,3-diamine
CID 83832910
1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 60918146
1-[(5-amino-1,3-benzoxazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79890676
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 83836721
N-[2-[methyl-(5-methyl-1,3-benzoxazol-2-yl)amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71185585
2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 62882624

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine (CID 83832889) is N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine is Cc1ccc2oc(N(C)CCN)nc2c1.
What is the InChIKey of N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine?
The InChIKey is VAUMIOUUJMONRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-3-4-10-9(7-8)13-11(15-10)14(2)6-5-12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine?
N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine has a molecular weight of 205.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 83832889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).