(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C18H22N4O3 — CID 98073780

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCn1nccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H22N4O3/c1-21-16(6-7-19-21)18(24)9-12-4-5-13(10-18)22(12)17(23)14-8-15(25-20-14)11-2-3-11/h6-8,11-13,24H,2-5,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyLVJDIWYYAOPFCU-STQMWFEESA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 98073780) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID98073780
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCn1nccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H22N4O3/c1-21-16(6-7-19-21)18(24)9-12-4-5-13(10-18)22(12)17(23)14-8-15(25-20-14)11-2-3-11/h6-8,11-13,24H,2-5,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyLVJDIWYYAOPFCU-STQMWFEESA-N
XLogP1.94
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 98073780) is (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cn1nccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)on1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is LVJDIWYYAOPFCU-STQMWFEESA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-16(6-7-19-21)18(24)9-12-4-5-13(10-18)22(12)17(23)14-8-15(25-20-14)11-2-3-11/h6-8,11-13,24H,2-5,9-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 98073780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).