(3-benzhydryl-1,2-oxazol-5-yl)methanamine

C17H16N2O — CID 107292965

IUPAC(3-benzhydryl-1,2-oxazol-5-yl)methanamine
SMILESNCc1cc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C17H16N2O/c18-12-15-11-16(19-20-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,17H,12,18H2
InChIKeyVONGLLHVEABROV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.31
Rot. Bonds4

About (3-benzhydryl-1,2-oxazol-5-yl)methanamine

(3-benzhydryl-1,2-oxazol-5-yl)methanamine (PubChem CID 107292965) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (3-benzhydryl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-benzhydryl-1,2-oxazol-5-yl)methanamine
PubChem CID107292965
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(3-benzhydryl-1,2-oxazol-5-yl)methanamine
SMILESNCc1cc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C17H16N2O/c18-12-15-11-16(19-20-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,17H,12,18H2
InChIKeyVONGLLHVEABROV-UHFFFAOYSA-N
XLogP3.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-benzhydryl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-benzhydryl-1,2-oxazol-5-yl)methanamine (CID 107292965) is (3-benzhydryl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-benzhydryl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-benzhydryl-1,2-oxazol-5-yl)methanamine is NCc1cc(C(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of (3-benzhydryl-1,2-oxazol-5-yl)methanamine?
The InChIKey is VONGLLHVEABROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-12-15-11-16(19-20-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,17H,12,18H2.
What are the key properties of (3-benzhydryl-1,2-oxazol-5-yl)methanamine?
(3-benzhydryl-1,2-oxazol-5-yl)methanamine has a molecular weight of 264.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzhydryl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 107292965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).