N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline

C17H16N2O — CID 15134379

IUPACN,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O/c1-19(2)15-10-8-14(9-11-15)17-18-12-16(20-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyUTYAVHBVIUGHOZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.07
Rot. Bonds3

About N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline

N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline (PubChem CID 15134379) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline
PubChem CID15134379
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O/c1-19(2)15-10-8-14(9-11-15)17-18-12-16(20-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyUTYAVHBVIUGHOZ-UHFFFAOYSA-N
XLogP4.07
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.07
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-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline (CID 15134379) is N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline is CN(C)c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline?
The InChIKey is UTYAVHBVIUGHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(2)15-10-8-14(9-11-15)17-18-12-16(20-17)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline?
N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline has a molecular weight of 264.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 15134379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).