3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide

C26H30N4O4 — CID 123877452

IUPAC3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4NC(=O)N3CCC(O)C3)no2)cc1
InChIInChI=1S/C26H30N4O4/c1-16(2)33-19-11-9-17(10-12-19)25-28-24(29-34-25)22-7-3-6-21-20(22)5-4-8-23(21)27-26(32)30-14-13-18(31)15-30/h3,6-7,9-12,16,18,23,31H,4-5,8,13-15H2,1-2H3,(H,27,32)
InChIKeyCXFNDLIBHGDQKQ-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.34
Rot. Bonds5

About 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide

3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide (PubChem CID 123877452) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide
PubChem CID123877452
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4NC(=O)N3CCC(O)C3)no2)cc1
InChIInChI=1S/C26H30N4O4/c1-16(2)33-19-11-9-17(10-12-19)25-28-24(29-34-25)22-7-3-6-21-20(22)5-4-8-23(21)27-26(32)30-14-13-18(31)15-30/h3,6-7,9-12,16,18,23,31H,4-5,8,13-15H2,1-2H3,(H,27,32)
InChIKeyCXFNDLIBHGDQKQ-UHFFFAOYSA-N
XLogP4.34
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide (CID 123877452) is 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4NC(=O)N3CCC(O)C3)no2)cc1.
What is the InChIKey of 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide?
The InChIKey is CXFNDLIBHGDQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-16(2)33-19-11-9-17(10-12-19)25-28-24(29-34-25)22-7-3-6-21-20(22)5-4-8-23(21)27-26(32)30-14-13-18(31)15-30/h3,6-7,9-12,16,18,23,31H,4-5,8,13-15H2,1-2H3,(H,27,32).
What are the key properties of 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide?
3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 123877452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).