(2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone

C20H21N3O2 — CID 23428034

IUPAC(2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone
SMILESCN(C)C(Cc1ccccc1)c1ncc(C(=O)c2ccccc2N)o1
InChIInChI=1S/C20H21N3O2/c1-23(2)17(12-14-8-4-3-5-9-14)20-22-13-18(25-20)19(24)15-10-6-7-11-16(15)21/h3-11,13,17H,12,21H2,1-2H3
InChIKeyNRJOOMIJSJOZAW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.33
Rot. Bonds6

About (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone

(2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone (PubChem CID 23428034) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone
PubChem CID23428034
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone
SMILESCN(C)C(Cc1ccccc1)c1ncc(C(=O)c2ccccc2N)o1
InChIInChI=1S/C20H21N3O2/c1-23(2)17(12-14-8-4-3-5-9-14)20-22-13-18(25-20)19(24)15-10-6-7-11-16(15)21/h3-11,13,17H,12,21H2,1-2H3
InChIKeyNRJOOMIJSJOZAW-UHFFFAOYSA-N
XLogP3.33
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone?
The IUPAC name of (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone (CID 23428034) is (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone is CN(C)C(Cc1ccccc1)c1ncc(C(=O)c2ccccc2N)o1.
What is the InChIKey of (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone?
The InChIKey is NRJOOMIJSJOZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)17(12-14-8-4-3-5-9-14)20-22-13-18(25-20)19(24)15-10-6-7-11-16(15)21/h3-11,13,17H,12,21H2,1-2H3.
What are the key properties of (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone?
(2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 23428034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).