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

C22H26N2O3 — CID 56966340

IUPAC2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol
SMILESCc1nc(-c2ccc(Cc3ccc(CCC(N)(CO)CO)cc3)cc2)co1
InChIInChI=1S/C22H26N2O3/c1-16-24-21(13-27-16)20-8-6-19(7-9-20)12-18-4-2-17(3-5-18)10-11-22(23,14-25)15-26/h2-9,13,25-26H,10-12,14-15,23H2,1H3
InChIKeyUMWKJHIMUHUOIS-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.86
Rot. Bonds8

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

2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol (PubChem CID 56966340) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol
PubChem CID56966340
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol
SMILESCc1nc(-c2ccc(Cc3ccc(CCC(N)(CO)CO)cc3)cc2)co1
InChIInChI=1S/C22H26N2O3/c1-16-24-21(13-27-16)20-8-6-19(7-9-20)12-18-4-2-17(3-5-18)10-11-22(23,14-25)15-26/h2-9,13,25-26H,10-12,14-15,23H2,1H3
InChIKeyUMWKJHIMUHUOIS-UHFFFAOYSA-N
XLogP2.86
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.86
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-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol (CID 56966340) is 2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol is Cc1nc(-c2ccc(Cc3ccc(CCC(N)(CO)CO)cc3)cc2)co1.
What is the InChIKey of 2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol?
The InChIKey is UMWKJHIMUHUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-24-21(13-27-16)20-8-6-19(7-9-20)12-18-4-2-17(3-5-18)10-11-22(23,14-25)15-26/h2-9,13,25-26H,10-12,14-15,23H2,1H3.
What are the key properties of 2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol?
2-amino-2-[2-[4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol has a molecular weight of 366.46 g/mol, XLogP of 2.86, 8 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-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]phenyl]ethyl]propane-1,3-diol is sourced from PubChem (CID 56966340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).