N-ethyl-4-(1,2-oxazol-3-yl)aniline

C11H12N2O — CID 146602049

IUPACN-ethyl-4-(1,2-oxazol-3-yl)aniline
SMILESCCNc1ccc(-c2ccon2)cc1
InChIInChI=1S/C11H12N2O/c1-2-12-10-5-3-9(4-6-10)11-7-8-14-13-11/h3-8,12H,2H2,1H3
InChIKeyGOILOVMXLSTKAI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.77
Rot. Bonds3

About N-ethyl-4-(1,2-oxazol-3-yl)aniline

N-ethyl-4-(1,2-oxazol-3-yl)aniline (PubChem CID 146602049) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-ethyl-4-(1,2-oxazol-3-yl)aniline.

Molecular Properties

Compound NameN-ethyl-4-(1,2-oxazol-3-yl)aniline
PubChem CID146602049
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-ethyl-4-(1,2-oxazol-3-yl)aniline
SMILESCCNc1ccc(-c2ccon2)cc1
InChIInChI=1S/C11H12N2O/c1-2-12-10-5-3-9(4-6-10)11-7-8-14-13-11/h3-8,12H,2H2,1H3
InChIKeyGOILOVMXLSTKAI-UHFFFAOYSA-N
XLogP2.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1,2-oxazol-3-yl)aniline?
The IUPAC name of N-ethyl-4-(1,2-oxazol-3-yl)aniline (CID 146602049) is N-ethyl-4-(1,2-oxazol-3-yl)aniline.
What is the SMILES notation for N-ethyl-4-(1,2-oxazol-3-yl)aniline?
The canonical SMILES for N-ethyl-4-(1,2-oxazol-3-yl)aniline is CCNc1ccc(-c2ccon2)cc1.
What is the InChIKey of N-ethyl-4-(1,2-oxazol-3-yl)aniline?
The InChIKey is GOILOVMXLSTKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-12-10-5-3-9(4-6-10)11-7-8-14-13-11/h3-8,12H,2H2,1H3.
What are the key properties of N-ethyl-4-(1,2-oxazol-3-yl)aniline?
N-ethyl-4-(1,2-oxazol-3-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1,2-oxazol-3-yl)aniline is sourced from PubChem (CID 146602049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).