N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide

C17H19N3O2 — CID 154780076

IUPACN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@@H]23)no1
InChIInChI=1S/C17H19N3O2/c1-11-7-15(19-22-11)17(21)18-16-13-9-20(10-14(13)16)8-12-5-3-2-4-6-12/h2-7,13-14,16H,8-10H2,1H3,(H,18,21)/t13-,14+,16?
InChIKeyJETSDBPIWRLLKC-MZBDJJRSSA-N
MW297.36 g/mol
LogP1.84
Rot. Bonds4

About N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 154780076) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID154780076
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@@H]23)no1
InChIInChI=1S/C17H19N3O2/c1-11-7-15(19-22-11)17(21)18-16-13-9-20(10-14(13)16)8-12-5-3-2-4-6-12/h2-7,13-14,16H,8-10H2,1H3,(H,18,21)/t13-,14+,16?
InChIKeyJETSDBPIWRLLKC-MZBDJJRSSA-N
XLogP1.84
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 154764205
N-[(3aR,4S,8bR)-2-(pyridin-3-ylmethyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155867759
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide
CID 167755656
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CID 167986912
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2812630
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CID 95145261
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CID 109002094
5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide
CID 131900579
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
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5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 154780076) is N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@@H]23)no1.
What is the InChIKey of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JETSDBPIWRLLKC-MZBDJJRSSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-7-15(19-22-11)17(21)18-16-13-9-20(10-14(13)16)8-12-5-3-2-4-6-12/h2-7,13-14,16H,8-10H2,1H3,(H,18,21)/t13-,14+,16?.
What are the key properties of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154780076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).