2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine

C13H17N3O2 — CID 114182306

IUPAC2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCOc1cc(NC(C)c2ncc(C)o2)ccc1N
InChIInChI=1S/C13H17N3O2/c1-8-7-15-13(18-8)9(2)16-10-4-5-11(14)12(6-10)17-3/h4-7,9,16H,14H2,1-3H3
InChIKeyKMSCEQOMTVNLIX-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.75
Rot. Bonds4

About 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine

2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine (PubChem CID 114182306) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
PubChem CID114182306
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCOc1cc(NC(C)c2ncc(C)o2)ccc1N
InChIInChI=1S/C13H17N3O2/c1-8-7-15-13(18-8)9(2)16-10-4-5-11(14)12(6-10)17-3/h4-7,9,16H,14H2,1-3H3
InChIKeyKMSCEQOMTVNLIX-UHFFFAOYSA-N
XLogP2.75
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 114182305
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide
CID 106387704
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
2-amino-4-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 106388368
5-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 106388852
4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609
2-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469941
4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
CID 63676241
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 106387593

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine (CID 114182306) is 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine is COc1cc(NC(C)c2ncc(C)o2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine?
The InChIKey is KMSCEQOMTVNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-7-15-13(18-8)9(2)16-10-4-5-11(14)12(6-10)17-3/h4-7,9,16H,14H2,1-3H3.
What are the key properties of 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine?
2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 114182306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).