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

C22H27ClN2O3 — CID 71487023

IUPAC2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
SMILESCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-2-21-24-20(13-27-21)19-9-7-18(8-10-19)17-5-3-16(4-6-17)11-12-22(23,14-25)15-26;/h3-10,13,25-26H,2,11-12,14-15,23H2,1H3;1H
InChIKeyMTMMJPYZUSQJHW-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.61
Rot. Bonds8

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

2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride (PubChem CID 71487023) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
PubChem CID71487023
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
SMILESCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-2-21-24-20(13-27-21)19-9-7-18(8-10-19)17-5-3-16(4-6-17)11-12-22(23,14-25)15-26;/h3-10,13,25-26H,2,11-12,14-15,23H2,1H3;1H
InChIKeyMTMMJPYZUSQJHW-UHFFFAOYSA-N
XLogP3.61
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.61
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-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride?
The IUPAC name of 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride (CID 71487023) is 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride is CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1.Cl.
What is the InChIKey of 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride?
The InChIKey is MTMMJPYZUSQJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3.ClH/c1-2-21-24-20(13-27-21)19-9-7-18(8-10-19)17-5-3-16(4-6-17)11-12-22(23,14-25)15-26;/h3-10,13,25-26H,2,11-12,14-15,23H2,1H3;1H.
What are the key properties of 2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride?
2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride has a molecular weight of 402.92 g/mol, XLogP of 3.61, 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-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride is sourced from PubChem (CID 71487023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).