7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine

C19H18N2O — CID 139771029

IUPAC7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine
SMILESNc1onc2c1CCCC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2O/c20-18-16-12-7-13-19(17(16)21-22-18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,20H2
InChIKeyNALBBZPYSRMUIH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.93
Rot. Bonds2

About 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine

7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine (PubChem CID 139771029) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine
PubChem CID139771029
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine
SMILESNc1onc2c1CCCC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2O/c20-18-16-12-7-13-19(17(16)21-22-18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,20H2
InChIKeyNALBBZPYSRMUIH-UHFFFAOYSA-N
XLogP3.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine?
The IUPAC name of 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine (CID 139771029) is 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine.
What is the SMILES notation for 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine?
The canonical SMILES for 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine is Nc1onc2c1CCCC2(c1ccccc1)c1ccccc1.
What is the InChIKey of 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine?
The InChIKey is NALBBZPYSRMUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-18-16-12-7-13-19(17(16)21-22-18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,20H2.
What are the key properties of 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine?
7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine has a molecular weight of 290.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139771029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).