1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol

C20H26N2O3 — CID 167774741

IUPAC1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESOC(CNC1CC(c2ccon2)C1)COC1CCCc2ccccc21
InChIInChI=1S/C20H26N2O3/c23-17(12-21-16-10-15(11-16)19-8-9-25-22-19)13-24-20-7-3-5-14-4-1-2-6-18(14)20/h1-2,4,6,8-9,15-17,20-21,23H,3,5,7,10-13H2
InChIKeyWHNYXQXZARFWEP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.97
Rot. Bonds7

About 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol

1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (PubChem CID 167774741) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
PubChem CID167774741
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESOC(CNC1CC(c2ccon2)C1)COC1CCCc2ccccc21
InChIInChI=1S/C20H26N2O3/c23-17(12-21-16-10-15(11-16)19-8-9-25-22-19)13-24-20-7-3-5-14-4-1-2-6-18(14)20/h1-2,4,6,8-9,15-17,20-21,23H,3,5,7,10-13H2
InChIKeyWHNYXQXZARFWEP-UHFFFAOYSA-N
XLogP2.97
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The IUPAC name of 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (CID 167774741) is 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The canonical SMILES for 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is OC(CNC1CC(c2ccon2)C1)COC1CCCc2ccccc21.
What is the InChIKey of 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The InChIKey is WHNYXQXZARFWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-17(12-21-16-10-15(11-16)19-8-9-25-22-19)13-24-20-7-3-5-14-4-1-2-6-18(14)20/h1-2,4,6,8-9,15-17,20-21,23H,3,5,7,10-13H2.
What are the key properties of 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is sourced from PubChem (CID 167774741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).