4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline

C12H14N2O — CID 112713222

IUPAC4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline
SMILESCC(C)(c1ccc(N)cc1)c1cocn1
InChIInChI=1S/C12H14N2O/c1-12(2,11-7-15-8-14-11)9-3-5-10(13)6-4-9/h3-8H,13H2,1-2H3
InChIKeyGUXZSOJRHGEEKU-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.58
Rot. Bonds2

About 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline

4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline (PubChem CID 112713222) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline
PubChem CID112713222
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline
SMILESCC(C)(c1ccc(N)cc1)c1cocn1
InChIInChI=1S/C12H14N2O/c1-12(2,11-7-15-8-14-11)9-3-5-10(13)6-4-9/h3-8H,13H2,1-2H3
InChIKeyGUXZSOJRHGEEKU-UHFFFAOYSA-N
XLogP2.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline?
The IUPAC name of 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline (CID 112713222) is 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline is CC(C)(c1ccc(N)cc1)c1cocn1.
What is the InChIKey of 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline?
The InChIKey is GUXZSOJRHGEEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,11-7-15-8-14-11)9-3-5-10(13)6-4-9/h3-8H,13H2,1-2H3.
What are the key properties of 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline?
4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline has a molecular weight of 202.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline is sourced from PubChem (CID 112713222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).