(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol

C18H20N2O2 — CID 58709704

IUPAC(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol
SMILESC[C@](N)(CO)CCc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C18H20N2O2/c1-18(19,12-21)10-9-13-7-8-16-15(11-13)20-17(22-16)14-5-3-2-4-6-14/h2-8,11,21H,9-10,12,19H2,1H3/t18-/m1/s1
InChIKeyYZPSKWAENWBDPI-GOSISDBHSA-N
MW296.37 g/mol
LogP3.14
Rot. Bonds5

About (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol

(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol (PubChem CID 58709704) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol
PubChem CID58709704
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol
SMILESC[C@](N)(CO)CCc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C18H20N2O2/c1-18(19,12-21)10-9-13-7-8-16-15(11-13)20-17(22-16)14-5-3-2-4-6-14/h2-8,11,21H,9-10,12,19H2,1H3/t18-/m1/s1
InChIKeyYZPSKWAENWBDPI-GOSISDBHSA-N
XLogP3.14
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol
CID 68764801
5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
CID 129228304
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
5-hexyl-2-(4-octylphenyl)-1,3-benzoxazole
CID 19021147
2-amino-5-[(2-phenyl-1,3-benzoxazol-5-yl)methyl]-1,3-thiazol-4-one
CID 10543905
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane
CID 163607211
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine
CID 82298467
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol?
The IUPAC name of (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol (CID 58709704) is (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol?
The canonical SMILES for (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol is C[C@](N)(CO)CCc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol?
The InChIKey is YZPSKWAENWBDPI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(19,12-21)10-9-13-7-8-16-15(11-13)20-17(22-16)14-5-3-2-4-6-14/h2-8,11,21H,9-10,12,19H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol?
(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol has a molecular weight of 296.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol is sourced from PubChem (CID 58709704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).