4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline

C11H14N2O2 — CID 142018117

IUPAC4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline
SMILESCNc1ccc(C2=CNCO2)c(OC)c1
InChIInChI=1S/C11H14N2O2/c1-12-8-3-4-9(10(5-8)14-2)11-6-13-7-15-11/h3-6,12-13H,7H2,1-2H3
InChIKeyANYBNFQTOYXGHA-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.61
Rot. Bonds3

About 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline

4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline (PubChem CID 142018117) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline
PubChem CID142018117
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline
SMILESCNc1ccc(C2=CNCO2)c(OC)c1
InChIInChI=1S/C11H14N2O2/c1-12-8-3-4-9(10(5-8)14-2)11-6-13-7-15-11/h3-6,12-13H,7H2,1-2H3
InChIKeyANYBNFQTOYXGHA-UHFFFAOYSA-N
XLogP1.61
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline?
The IUPAC name of 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline (CID 142018117) is 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline?
The canonical SMILES for 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline is CNc1ccc(C2=CNCO2)c(OC)c1.
What is the InChIKey of 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline?
The InChIKey is ANYBNFQTOYXGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-8-3-4-9(10(5-8)14-2)11-6-13-7-15-11/h3-6,12-13H,7H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline?
4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline has a molecular weight of 206.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxy-N-methylaniline is sourced from PubChem (CID 142018117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).