(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

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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).