(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol

C21H31N3O2 — CID 69189545

IUPAC(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
SMILESCN(CCN)CCc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C21H31N3O2/c1-24(15-13-22)14-12-19-16-23-20(26-19)21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,16,18,25H,3,6-7,10-15,22H2,1H3/t21-/m0/s1
InChIKeyXXZXHUQKIGYKKJ-NRFANRHFSA-N
MW357.50 g/mol
LogP2.92
Rot. Bonds8

About (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol

(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol (PubChem CID 69189545) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol.

Molecular Properties

Compound Name(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
PubChem CID69189545
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
SMILESCN(CCN)CCc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C21H31N3O2/c1-24(15-13-22)14-12-19-16-23-20(26-19)21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,16,18,25H,3,6-7,10-15,22H2,1H3/t21-/m0/s1
InChIKeyXXZXHUQKIGYKKJ-NRFANRHFSA-N
XLogP2.92
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol?
The IUPAC name of (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol (CID 69189545) is (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol.
What is the SMILES notation for (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol?
The canonical SMILES for (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol is CN(CCN)CCc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1.
What is the InChIKey of (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol?
The InChIKey is XXZXHUQKIGYKKJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-24(15-13-22)14-12-19-16-23-20(26-19)21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,16,18,25H,3,6-7,10-15,22H2,1H3/t21-/m0/s1.
What are the key properties of (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol?
(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol has a molecular weight of 357.50 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol is sourced from PubChem (CID 69189545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).