N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

C19H23N3O2 — CID 94867266

IUPACN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C19H23N3O2/c1-13-17(21-19(24-13)14-7-3-2-4-8-14)18(23)20-15-10-12-22-11-6-5-9-16(15)22/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyZMMCKZCKIZJRKZ-HOTGVXAUSA-N
MW325.41 g/mol
LogP3.01
Rot. Bonds3

About N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 94867266) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID94867266
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C19H23N3O2/c1-13-17(21-19(24-13)14-7-3-2-4-8-14)18(23)20-15-10-12-22-11-6-5-9-16(15)22/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyZMMCKZCKIZJRKZ-HOTGVXAUSA-N
XLogP3.01
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 94867266) is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is ZMMCKZCKIZJRKZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-17(21-19(24-13)14-7-3-2-4-8-14)18(23)20-15-10-12-22-11-6-5-9-16(15)22/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,20,23)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 94867266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).