N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine

C17H18N2O — CID 90645438

IUPACN-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine
SMILESCC(C)(CNc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-17(2,13-8-4-3-5-9-13)12-18-16-14-10-6-7-11-15(14)20-19-16/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyGTSKFZRBVBRULH-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.22
Rot. Bonds4

About N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine

N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine (PubChem CID 90645438) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine
PubChem CID90645438
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine
SMILESCC(C)(CNc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-17(2,13-8-4-3-5-9-13)12-18-16-14-10-6-7-11-15(14)20-19-16/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyGTSKFZRBVBRULH-UHFFFAOYSA-N
XLogP4.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine (CID 90645438) is N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine is CC(C)(CNc1noc2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine?
The InChIKey is GTSKFZRBVBRULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(2,13-8-4-3-5-9-13)12-18-16-14-10-6-7-11-15(14)20-19-16/h3-11H,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine?
N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine has a molecular weight of 266.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 90645438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).