2-(4,5-dihydro-1,3-oxazol-2-yl)aniline

C9H10N2O — CID 10702136

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)aniline
SMILESNc1ccccc1C1=NCCO1
InChIInChI=1S/C9H10N2O/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6,10H2
InChIKeyFDLSEUGNQNFTFX-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.05
Rot. Bonds1

About 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline

2-(4,5-dihydro-1,3-oxazol-2-yl)aniline (PubChem CID 10702136) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)aniline
PubChem CID10702136
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)aniline
SMILESNc1ccccc1C1=NCCO1
InChIInChI=1S/C9H10N2O/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6,10H2
InChIKeyFDLSEUGNQNFTFX-UHFFFAOYSA-N
XLogP1.05
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.05
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 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline (CID 10702136) is 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline is Nc1ccccc1C1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline?
The InChIKey is FDLSEUGNQNFTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6,10H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline?
2-(4,5-dihydro-1,3-oxazol-2-yl)aniline has a molecular weight of 162.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 10702136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).