2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine

C12H15N3O — CID 106387648

IUPAC2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
SMILESCc1cnc(C(C)Nc2ccccc2N)o1
InChIInChI=1S/C12H15N3O/c1-8-7-14-12(16-8)9(2)15-11-6-4-3-5-10(11)13/h3-7,9,15H,13H2,1-2H3
InChIKeyJBYPQAATQGQMBC-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.74
Rot. Bonds3

About 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine

2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine (PubChem CID 106387648) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
PubChem CID106387648
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
SMILESCc1cnc(C(C)Nc2ccccc2N)o1
InChIInChI=1S/C12H15N3O/c1-8-7-14-12(16-8)9(2)15-11-6-4-3-5-10(11)13/h3-7,9,15H,13H2,1-2H3
InChIKeyJBYPQAATQGQMBC-UHFFFAOYSA-N
XLogP2.74
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 106387593
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
CID 106387738
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide
CID 106387707
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
CID 103946656
2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 114182306
1-methyl-3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 106387646
3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 106387458
2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 114182305

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine (CID 106387648) is 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine is Cc1cnc(C(C)Nc2ccccc2N)o1.
What is the InChIKey of 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine?
The InChIKey is JBYPQAATQGQMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-7-14-12(16-8)9(2)15-11-6-4-3-5-10(11)13/h3-7,9,15H,13H2,1-2H3.
What are the key properties of 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine?
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine has a molecular weight of 217.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106387648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).