N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine

C7H13N3O — CID 115869778

IUPACN'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CCN)Cc1ccon1
InChIInChI=1S/C7H13N3O/c1-10(4-3-8)6-7-2-5-11-9-7/h2,5H,3-4,6,8H2,1H3
InChIKeyXMWDAJUDZFVVPS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.07
Rot. Bonds4

About N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine

N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine (PubChem CID 115869778) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine
PubChem CID115869778
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CCN)Cc1ccon1
InChIInChI=1S/C7H13N3O/c1-10(4-3-8)6-7-2-5-11-9-7/h2,5H,3-4,6,8H2,1H3
InChIKeyXMWDAJUDZFVVPS-UHFFFAOYSA-N
XLogP0.07
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine (CID 115869778) is N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine is CN(CCN)Cc1ccon1.
What is the InChIKey of N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is XMWDAJUDZFVVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-10(4-3-8)6-7-2-5-11-9-7/h2,5H,3-4,6,8H2,1H3.
What are the key properties of N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine?
N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 155.20 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115869778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).