[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

C20H24N2O3 — CID 136715299

IUPAC[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(O)cc3)on2)C1
InChIInChI=1S/C20H24N2O3/c1-19(2)9-14-10-20(3,11-19)12-22(14)18(24)16-8-17(25-21-16)13-4-6-15(23)7-5-13/h4-8,14,23H,9-12H2,1-3H3/t14-,20+/m0/s1
InChIKeySVTHTSHUNWSKNN-VBKZILBWSA-N
MW340.42 g/mol
LogP4.09
Rot. Bonds2

About [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (PubChem CID 136715299) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
PubChem CID136715299
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(O)cc3)on2)C1
InChIInChI=1S/C20H24N2O3/c1-19(2)9-14-10-20(3,11-19)12-22(14)18(24)16-8-17(25-21-16)13-4-6-15(23)7-5-13/h4-8,14,23H,9-12H2,1-3H3/t14-,20+/m0/s1
InChIKeySVTHTSHUNWSKNN-VBKZILBWSA-N
XLogP4.09
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The IUPAC name of [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (CID 136715299) is [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.
What is the SMILES notation for [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The canonical SMILES for [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(O)cc3)on2)C1.
What is the InChIKey of [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The InChIKey is SVTHTSHUNWSKNN-VBKZILBWSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-19(2)9-14-10-20(3,11-19)12-22(14)18(24)16-8-17(25-21-16)13-4-6-15(23)7-5-13/h4-8,14,23H,9-12H2,1-3H3/t14-,20+/m0/s1.
What are the key properties of [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is sourced from PubChem (CID 136715299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).