2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane

C17H20N2O2 — CID 163607211

IUPAC2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane
SMILESC.CC(C)(O)c1cc2oc(-c3ccccc3)nc2cc1N
InChIInChI=1S/C16H16N2O2.CH4/c1-16(2,19)11-8-14-13(9-12(11)17)18-15(20-14)10-6-4-3-5-7-10;/h3-9,19H,17H2,1-2H3;1H4
InChIKeyHCUNIZLMIAZNER-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.94
Rot. Bonds2

About 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane

2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane (PubChem CID 163607211) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane.

Molecular Properties

Compound Name2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane
PubChem CID163607211
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane
SMILESC.CC(C)(O)c1cc2oc(-c3ccccc3)nc2cc1N
InChIInChI=1S/C16H16N2O2.CH4/c1-16(2,19)11-8-14-13(9-12(11)17)18-15(20-14)10-6-4-3-5-7-10;/h3-9,19H,17H2,1-2H3;1H4
InChIKeyHCUNIZLMIAZNER-UHFFFAOYSA-N
XLogP3.94
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
4-[2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-yloxymethyl]benzenesulfonic acid
CID 166949445
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
CID 140904312
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
CID 129228304
2-[4-bromo-2-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]propan-2-ol
CID 168832391
(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol
CID 58709704
5-tert-butyl-2-[4-(5-tert-butyl-6-methyl-1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole
CID 20612830
2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 10266812
4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid
CID 59831041
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane?
The IUPAC name of 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane (CID 163607211) is 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane.
What is the SMILES notation for 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane?
The canonical SMILES for 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane is C.CC(C)(O)c1cc2oc(-c3ccccc3)nc2cc1N.
What is the InChIKey of 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane?
The InChIKey is HCUNIZLMIAZNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.CH4/c1-16(2,19)11-8-14-13(9-12(11)17)18-15(20-14)10-6-4-3-5-7-10;/h3-9,19H,17H2,1-2H3;1H4.
What are the key properties of 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane?
2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane has a molecular weight of 284.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane is sourced from PubChem (CID 163607211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).