(2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol

C23H28N2O2 — CID 162653390

IUPAC(2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol
SMILESCCCc1nc(-c2ccc(-c3ccc(CC[C@@](C)(N)CO)cc3)cc2)co1
InChIInChI=1S/C23H28N2O2/c1-3-4-22-25-21(15-27-22)20-11-9-19(10-12-20)18-7-5-17(6-8-18)13-14-23(2,24)16-26/h5-12,15,26H,3-4,13-14,16,24H2,1-2H3/t23-/m1/s1
InChIKeyPBHMBTUZOAFCBC-HSZRJFAPSA-N
MW364.49 g/mol
LogP4.60
Rot. Bonds8

About (2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol

(2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol (PubChem CID 162653390) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol
PubChem CID162653390
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol
SMILESCCCc1nc(-c2ccc(-c3ccc(CC[C@@](C)(N)CO)cc3)cc2)co1
InChIInChI=1S/C23H28N2O2/c1-3-4-22-25-21(15-27-22)20-11-9-19(10-12-20)18-7-5-17(6-8-18)13-14-23(2,24)16-26/h5-12,15,26H,3-4,13-14,16,24H2,1-2H3/t23-/m1/s1
InChIKeyPBHMBTUZOAFCBC-HSZRJFAPSA-N
XLogP4.60
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.60
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-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol?
The IUPAC name of (2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol (CID 162653390) is (2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol?
The canonical SMILES for (2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol is CCCc1nc(-c2ccc(-c3ccc(CC[C@@](C)(N)CO)cc3)cc2)co1.
What is the InChIKey of (2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol?
The InChIKey is PBHMBTUZOAFCBC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-4-22-25-21(15-27-22)20-11-9-19(10-12-20)18-7-5-17(6-8-18)13-14-23(2,24)16-26/h5-12,15,26H,3-4,13-14,16,24H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol?
(2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol has a molecular weight of 364.49 g/mol, XLogP of 4.60, 8 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-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol is sourced from PubChem (CID 162653390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).