3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C20H25N3O2 — CID 124820788

IUPAC3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]43)cc12
InChIInChI=1S/C20H25N3O2/c1-10(2)18-16-7-12(9-21-20(16)25-23-18)19(24)22-17-8-11-6-15(17)14-5-3-4-13(11)14/h7,9-11,13-15,17H,3-6,8H2,1-2H3,(H,22,24)/t11-,13+,14+,15+,17-/m1/s1
InChIKeyCNUMSGGFUUICDC-MAVRREBHSA-N
MW339.44 g/mol
LogP3.90
Rot. Bonds3

About 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 124820788) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID124820788
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]43)cc12
InChIInChI=1S/C20H25N3O2/c1-10(2)18-16-7-12(9-21-20(16)25-23-18)19(24)22-17-8-11-6-15(17)14-5-3-4-13(11)14/h7,9-11,13-15,17H,3-6,8H2,1-2H3,(H,22,24)/t11-,13+,14+,15+,17-/m1/s1
InChIKeyCNUMSGGFUUICDC-MAVRREBHSA-N
XLogP3.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 124820788) is 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)c1noc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]43)cc12.
What is the InChIKey of 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is CNUMSGGFUUICDC-MAVRREBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-10(2)18-16-7-12(9-21-20(16)25-23-18)19(24)22-17-8-11-6-15(17)14-5-3-4-13(11)14/h7,9-11,13-15,17H,3-6,8H2,1-2H3,(H,22,24)/t11-,13+,14+,15+,17-/m1/s1.
What are the key properties of 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 124820788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).