4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline

C19H20N2O2 — CID 14009974

IUPAC4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline
SMILESCCc1oc(CCOc2ccc(N)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-17-19(14-6-4-3-5-7-14)21-18(23-17)12-13-22-16-10-8-15(20)9-11-16/h3-11H,2,12-13,20H2,1H3
InChIKeyCPHOSHUTWIKFCT-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.11
Rot. Bonds6

About 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline

4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline (PubChem CID 14009974) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline
PubChem CID14009974
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline
SMILESCCc1oc(CCOc2ccc(N)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-17-19(14-6-4-3-5-7-14)21-18(23-17)12-13-22-16-10-8-15(20)9-11-16/h3-11H,2,12-13,20H2,1H3
InChIKeyCPHOSHUTWIKFCT-UHFFFAOYSA-N
XLogP4.11
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline (CID 14009974) is 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline is CCc1oc(CCOc2ccc(N)cc2)nc1-c1ccccc1.
What is the InChIKey of 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline?
The InChIKey is CPHOSHUTWIKFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-17-19(14-6-4-3-5-7-14)21-18(23-17)12-13-22-16-10-8-15(20)9-11-16/h3-11H,2,12-13,20H2,1H3.
What are the key properties of 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline?
4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline has a molecular weight of 308.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline is sourced from PubChem (CID 14009974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).