8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

C23H25N3O2 — CID 11964260

IUPAC8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESOC1CCc2cccc(Nc3ncc(-c4ccc(N5CCCC5)cc4)o3)c2C1
InChIInChI=1S/C23H25N3O2/c27-19-11-8-16-4-3-5-21(20(16)14-19)25-23-24-15-22(28-23)17-6-9-18(10-7-17)26-12-1-2-13-26/h3-7,9-10,15,19,27H,1-2,8,11-14H2,(H,24,25)
InChIKeyORCYDOBFEGCYAW-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.53
Rot. Bonds4

About 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 11964260) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID11964260
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESOC1CCc2cccc(Nc3ncc(-c4ccc(N5CCCC5)cc4)o3)c2C1
InChIInChI=1S/C23H25N3O2/c27-19-11-8-16-4-3-5-21(20(16)14-19)25-23-24-15-22(28-23)17-6-9-18(10-7-17)26-12-1-2-13-26/h3-7,9-10,15,19,27H,1-2,8,11-14H2,(H,24,25)
InChIKeyORCYDOBFEGCYAW-UHFFFAOYSA-N
XLogP4.53
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 11964260) is 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is OC1CCc2cccc(Nc3ncc(-c4ccc(N5CCCC5)cc4)o3)c2C1.
What is the InChIKey of 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is ORCYDOBFEGCYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-19-11-8-16-4-3-5-21(20(16)14-19)25-23-24-15-22(28-23)17-6-9-18(10-7-17)26-12-1-2-13-26/h3-7,9-10,15,19,27H,1-2,8,11-14H2,(H,24,25).
What are the key properties of 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 375.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(4-pyrrolidin-1-ylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 11964260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).