2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol

C23H28N2O3 — CID 58787883

IUPAC2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol
SMILESCCCc1cc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)no1
InChIInChI=1S/C23H28N2O3/c1-2-3-21-14-22(25-28-21)20-10-8-19(9-11-20)18-6-4-17(5-7-18)12-13-23(24,15-26)16-27/h4-11,14,26-27H,2-3,12-13,15-16,24H2,1H3
InChIKeyHKOHSSPPYWAJBD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.58
Rot. Bonds9

About 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol

2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol (PubChem CID 58787883) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol
PubChem CID58787883
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol
SMILESCCCc1cc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)no1
InChIInChI=1S/C23H28N2O3/c1-2-3-21-14-22(25-28-21)20-10-8-19(9-11-20)18-6-4-17(5-7-18)12-13-23(24,15-26)16-27/h4-11,14,26-27H,2-3,12-13,15-16,24H2,1H3
InChIKeyHKOHSSPPYWAJBD-UHFFFAOYSA-N
XLogP3.58
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol (CID 58787883) is 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol is CCCc1cc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)no1.
What is the InChIKey of 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol?
The InChIKey is HKOHSSPPYWAJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-3-21-14-22(25-28-21)20-10-8-19(9-11-20)18-6-4-17(5-7-18)12-13-23(24,15-26)16-27/h4-11,14,26-27H,2-3,12-13,15-16,24H2,1H3.
What are the key properties of 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol?
2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol has a molecular weight of 380.49 g/mol, XLogP of 3.58, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[4-[4-(5-propyl-1,2-oxazol-3-yl)phenyl]phenyl]ethyl]propane-1,3-diol is sourced from PubChem (CID 58787883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).