N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine

C22H18N2O — CID 16759411

IUPACN-benzyl-2,4-diphenyl-1,3-oxazol-5-amine
SMILESc1ccc(CNc2oc(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-4-10-17(11-5-1)16-23-22-20(18-12-6-2-7-13-18)24-21(25-22)19-14-8-3-9-15-19/h1-15,23H,16H2
InChIKeyWLKDDMHPJDZPNA-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.62
Rot. Bonds5

About N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine

N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine (PubChem CID 16759411) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-2,4-diphenyl-1,3-oxazol-5-amine
PubChem CID16759411
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC NameN-benzyl-2,4-diphenyl-1,3-oxazol-5-amine
SMILESc1ccc(CNc2oc(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-4-10-17(11-5-1)16-23-22-20(18-12-6-2-7-13-18)24-21(25-22)19-14-8-3-9-15-19/h1-15,23H,16H2
InChIKeyWLKDDMHPJDZPNA-UHFFFAOYSA-N
XLogP5.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine (CID 16759411) is N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine is c1ccc(CNc2oc(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine?
The InChIKey is WLKDDMHPJDZPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-4-10-17(11-5-1)16-23-22-20(18-12-6-2-7-13-18)24-21(25-22)19-14-8-3-9-15-19/h1-15,23H,16H2.
What are the key properties of N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine?
N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine has a molecular weight of 326.40 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 16759411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).