(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C22H26N4O3 — CID 92614488

IUPAC(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)(C)[C@@H]1CCc2onc(C(=O)NCc3nc(Cc4ccccc4)no3)c2C1
InChIInChI=1S/C22H26N4O3/c1-22(2,3)15-9-10-17-16(12-15)20(26-28-17)21(27)23-13-19-24-18(25-29-19)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,27)/t15-/m1/s1
InChIKeyCNXDRXFPLXZKSR-OAHLLOKOSA-N
MW394.48 g/mol
LogP3.73
Rot. Bonds5

About (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 92614488) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID92614488
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)(C)[C@@H]1CCc2onc(C(=O)NCc3nc(Cc4ccccc4)no3)c2C1
InChIInChI=1S/C22H26N4O3/c1-22(2,3)15-9-10-17-16(12-15)20(26-28-17)21(27)23-13-19-24-18(25-29-19)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,27)/t15-/m1/s1
InChIKeyCNXDRXFPLXZKSR-OAHLLOKOSA-N
XLogP3.73
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 92614488) is (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)(C)[C@@H]1CCc2onc(C(=O)NCc3nc(Cc4ccccc4)no3)c2C1.
What is the InChIKey of (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is CNXDRXFPLXZKSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(2,3)15-9-10-17-16(12-15)20(26-28-17)21(27)23-13-19-24-18(25-29-19)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 92614488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).