[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

C20H23N3O3 — CID 135099423

IUPAC[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H23N3O3/c24-20(23-13-14-6-7-16(23)12-14)17-18(15-4-2-1-3-5-15)26-21-19(17)22-8-10-25-11-9-22/h1-5,14,16H,6-13H2/t14-,16-/m0/s1
InChIKeyRBOWCCORBZCDTM-HOCLYGCPSA-N
MW353.42 g/mol
LogP2.80
Rot. Bonds3

About [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 135099423) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID135099423
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H23N3O3/c24-20(23-13-14-6-7-16(23)12-14)17-18(15-4-2-1-3-5-15)26-21-19(17)22-8-10-25-11-9-22/h1-5,14,16H,6-13H2/t14-,16-/m0/s1
InChIKeyRBOWCCORBZCDTM-HOCLYGCPSA-N
XLogP2.80
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone (CID 135099423) is [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone is O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1C[C@H]2CC[C@H]1C2.
What is the InChIKey of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is RBOWCCORBZCDTM-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(23-13-14-6-7-16(23)12-14)17-18(15-4-2-1-3-5-15)26-21-19(17)22-8-10-25-11-9-22/h1-5,14,16H,6-13H2/t14-,16-/m0/s1.
What are the key properties of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 353.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 135099423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).