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

C21H17ClN2O — CID 10337844

IUPAC5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2oc(NC(Cc3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C21H17ClN2O/c22-17-11-12-20-19(14-17)24-21(25-20)23-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,18H,13H2,(H,23,24)
InChIKeyAPXJQCOCLFLQST-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.88
Rot. Bonds5

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

5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine (PubChem CID 10337844) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine
PubChem CID10337844
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2oc(NC(Cc3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C21H17ClN2O/c22-17-11-12-20-19(14-17)24-21(25-20)23-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,18H,13H2,(H,23,24)
InChIKeyAPXJQCOCLFLQST-UHFFFAOYSA-N
XLogP5.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine (CID 10337844) is 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine is Clc1ccc2oc(NC(Cc3ccccc3)c3ccccc3)nc2c1.
What is the InChIKey of 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is APXJQCOCLFLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-17-11-12-20-19(14-17)24-21(25-20)23-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,18H,13H2,(H,23,24).
What are the key properties of 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine?
5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 348.83 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10337844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).