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

C19H23N3O2 — CID 138383979

IUPACN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCN2CCC[C@@H]12
InChIInChI=1S/C19H23N3O2/c1-13-17(18(21-24-13)14-7-3-2-4-8-14)19(23)20-15-9-5-11-22-12-6-10-16(15)22/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyVBHNEJARNKRERV-HOTGVXAUSA-N
MW325.41 g/mol
LogP3.01
Rot. Bonds3

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

N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 138383979) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID138383979
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCN2CCC[C@@H]12
InChIInChI=1S/C19H23N3O2/c1-13-17(18(21-24-13)14-7-3-2-4-8-14)19(23)20-15-9-5-11-22-12-6-10-16(15)22/h2-4,7-8,15-16H,5-6,9-12H2,1H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyVBHNEJARNKRERV-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

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

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Related Compounds

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5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
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5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 45236703
(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 110878380
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
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N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
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1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 126768949
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
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5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
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5-methyl-3-phenyl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 138383979) is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCN2CCC[C@@H]12.
What is the InChIKey of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VBHNEJARNKRERV-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-17(18(21-24-13)14-7-3-2-4-8-14)19(23)20-15-9-5-11-22-12-6-10-16(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-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-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-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138383979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).