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

C13H16N2O — CID 23047077

IUPACN,N-diethyl-4-(1,3-oxazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2ncco2)cc1
InChIInChI=1S/C13H16N2O/c1-3-15(4-2)12-7-5-11(6-8-12)13-14-9-10-16-13/h5-10H,3-4H2,1-2H3
InChIKeyQDYXDRDJOREZHX-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.19
Rot. Bonds4

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

N,N-diethyl-4-(1,3-oxazol-2-yl)aniline (PubChem CID 23047077) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N,N-diethyl-4-(1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(1,3-oxazol-2-yl)aniline
PubChem CID23047077
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN,N-diethyl-4-(1,3-oxazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2ncco2)cc1
InChIInChI=1S/C13H16N2O/c1-3-15(4-2)12-7-5-11(6-8-12)13-14-9-10-16-13/h5-10H,3-4H2,1-2H3
InChIKeyQDYXDRDJOREZHX-UHFFFAOYSA-N
XLogP3.19
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1,3-oxazol-2-yl)aniline?
The IUPAC name of N,N-diethyl-4-(1,3-oxazol-2-yl)aniline (CID 23047077) is N,N-diethyl-4-(1,3-oxazol-2-yl)aniline.
What is the SMILES notation for N,N-diethyl-4-(1,3-oxazol-2-yl)aniline?
The canonical SMILES for N,N-diethyl-4-(1,3-oxazol-2-yl)aniline is CCN(CC)c1ccc(-c2ncco2)cc1.
What is the InChIKey of N,N-diethyl-4-(1,3-oxazol-2-yl)aniline?
The InChIKey is QDYXDRDJOREZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-15(4-2)12-7-5-11(6-8-12)13-14-9-10-16-13/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(1,3-oxazol-2-yl)aniline?
N,N-diethyl-4-(1,3-oxazol-2-yl)aniline has a molecular weight of 216.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 23047077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).