1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine

C13H17N3O — CID 75482754

IUPAC1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1N(C)Cc1ccon1
InChIInChI=1S/C13H17N3O/c1-15(2)12-6-4-5-7-13(12)16(3)10-11-8-9-17-14-11/h4-9H,10H2,1-3H3
InChIKeyMBIWUDQEAJENTM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.38
Rot. Bonds4

About 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine

1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine (PubChem CID 75482754) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
PubChem CID75482754
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1N(C)Cc1ccon1
InChIInChI=1S/C13H17N3O/c1-15(2)12-6-4-5-7-13(12)16(3)10-11-8-9-17-14-11/h4-9H,10H2,1-3H3
InChIKeyMBIWUDQEAJENTM-UHFFFAOYSA-N
XLogP2.38
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine (CID 75482754) is 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine is CN(C)c1ccccc1N(C)Cc1ccon1.
What is the InChIKey of 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is MBIWUDQEAJENTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15(2)12-6-4-5-7-13(12)16(3)10-11-8-9-17-14-11/h4-9H,10H2,1-3H3.
What are the key properties of 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 75482754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).