N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine

C22H20N2O — CID 51110682

IUPACN-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine
SMILESc1ccc(CC(NCc2nc3ccccc3o2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-3-9-17(10-4-1)15-20(18-11-5-2-6-12-18)23-16-22-24-19-13-7-8-14-21(19)25-22/h1-14,20,23H,15-16H2
InChIKeyBYRRTVKAIKZFOE-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.90
Rot. Bonds6

About N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine

N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine (PubChem CID 51110682) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine
PubChem CID51110682
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine
SMILESc1ccc(CC(NCc2nc3ccccc3o2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-3-9-17(10-4-1)15-20(18-11-5-2-6-12-18)23-16-22-24-19-13-7-8-14-21(19)25-22/h1-14,20,23H,15-16H2
InChIKeyBYRRTVKAIKZFOE-UHFFFAOYSA-N
XLogP4.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(1,3-benzothiazol-2-ylmethyl)-1,2-diphenylethanamine
CID 26629588
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-(2-bromo-2-phenylethyl)-1,3-benzoxazole
CID 66458807
N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-diphenylethanamine
CID 112801587
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612
2-(1,3-benzoxazol-2-yl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 107963012
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201127
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
2-ethyl-1,3-benzoxazole
CID 23239
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine (CID 51110682) is N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine is c1ccc(CC(NCc2nc3ccccc3o2)c2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine?
The InChIKey is BYRRTVKAIKZFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-3-9-17(10-4-1)15-20(18-11-5-2-6-12-18)23-16-22-24-19-13-7-8-14-21(19)25-22/h1-14,20,23H,15-16H2.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine?
N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine has a molecular weight of 328.42 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-1,2-diphenylethanamine is sourced from PubChem (CID 51110682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).