N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine

C22H20N2O2 — CID 10020389

IUPACN-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine
SMILESCOc1ccc2oc(NC(Cc3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C22H20N2O2/c1-25-18-12-13-21-20(15-18)24-22(26-21)23-19(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-13,15,19H,14H2,1H3,(H,23,24)
InChIKeyWGCFWJHHOZDKML-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.23
Rot. Bonds6

About N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine

N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine (PubChem CID 10020389) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine
PubChem CID10020389
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine
SMILESCOc1ccc2oc(NC(Cc3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C22H20N2O2/c1-25-18-12-13-21-20(15-18)24-22(26-21)23-19(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-13,15,19H,14H2,1H3,(H,23,24)
InChIKeyWGCFWJHHOZDKML-UHFFFAOYSA-N
XLogP5.23
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine (CID 10020389) is N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine is COc1ccc2oc(NC(Cc3ccccc3)c3ccccc3)nc2c1.
What is the InChIKey of N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine?
The InChIKey is WGCFWJHHOZDKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-18-12-13-21-20(15-18)24-22(26-21)23-19(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-13,15,19H,14H2,1H3,(H,23,24).
What are the key properties of N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine?
N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine has a molecular weight of 344.41 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10020389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).