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

C22H26N2O3S — CID 71486700

IUPAC2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol
SMILESCCc1nc(-c2ccc(Sc3ccc(CCC(N)(CO)CO)cc3)cc2)co1
InChIInChI=1S/C22H26N2O3S/c1-2-21-24-20(13-27-21)17-5-9-19(10-6-17)28-18-7-3-16(4-8-18)11-12-22(23,14-25)15-26/h3-10,13,25-26H,2,11-12,14-15,23H2,1H3
InChIKeyGIZSFEGHTGRZJZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.67
Rot. Bonds9

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

2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol (PubChem CID 71486700) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol
PubChem CID71486700
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol
SMILESCCc1nc(-c2ccc(Sc3ccc(CCC(N)(CO)CO)cc3)cc2)co1
InChIInChI=1S/C22H26N2O3S/c1-2-21-24-20(13-27-21)17-5-9-19(10-6-17)28-18-7-3-16(4-8-18)11-12-22(23,14-25)15-26/h3-10,13,25-26H,2,11-12,14-15,23H2,1H3
InChIKeyGIZSFEGHTGRZJZ-UHFFFAOYSA-N
XLogP3.67
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol (CID 71486700) is 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol is CCc1nc(-c2ccc(Sc3ccc(CCC(N)(CO)CO)cc3)cc2)co1.
What is the InChIKey of 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol?
The InChIKey is GIZSFEGHTGRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-2-21-24-20(13-27-21)17-5-9-19(10-6-17)28-18-7-3-16(4-8-18)11-12-22(23,14-25)15-26/h3-10,13,25-26H,2,11-12,14-15,23H2,1H3.
What are the key properties of 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol?
2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol has a molecular weight of 398.53 g/mol, XLogP of 3.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propane-1,3-diol is sourced from PubChem (CID 71486700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).