[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone

C19H24N2O3 — CID 42380783

IUPAC[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1ccc(CC2=NO[C@H](C(=O)N3C[C@H]4CCC[C@@H]3C4)C2)cc1
InChIInChI=1S/C19H24N2O3/c1-23-17-7-5-13(6-8-17)9-15-11-18(24-20-15)19(22)21-12-14-3-2-4-16(21)10-14/h5-8,14,16,18H,2-4,9-12H2,1H3/t14-,16+,18-/m0/s1
InChIKeyUHQNRPQMLRDWJA-LESCRADOSA-N
MW328.41 g/mol
LogP2.78
Rot. Bonds4

About [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone

[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 42380783) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID42380783
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1ccc(CC2=NO[C@H](C(=O)N3C[C@H]4CCC[C@@H]3C4)C2)cc1
InChIInChI=1S/C19H24N2O3/c1-23-17-7-5-13(6-8-17)9-15-11-18(24-20-15)19(22)21-12-14-3-2-4-16(21)10-14/h5-8,14,16,18H,2-4,9-12H2,1H3/t14-,16+,18-/m0/s1
InChIKeyUHQNRPQMLRDWJA-LESCRADOSA-N
XLogP2.78
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 42380783) is [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone is COc1ccc(CC2=NO[C@H](C(=O)N3C[C@H]4CCC[C@@H]3C4)C2)cc1.
What is the InChIKey of [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is UHQNRPQMLRDWJA-LESCRADOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-17-7-5-13(6-8-17)9-15-11-18(24-20-15)19(22)21-12-14-3-2-4-16(21)10-14/h5-8,14,16,18H,2-4,9-12H2,1H3/t14-,16+,18-/m0/s1.
What are the key properties of [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone?
[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 42380783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).