(5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

C14H19N3O2 — CID 59268960

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC2CNCC(C2)C1
InChIInChI=1S/C14H19N3O2/c18-14(12-4-13(19-16-12)11-1-2-11)17-7-9-3-10(8-17)6-15-5-9/h4,9-11,15H,1-3,5-8H2
InChIKeyQCCJZQAOUZLYQM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.23
Rot. Bonds2

About (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 59268960) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID59268960
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC2CNCC(C2)C1
InChIInChI=1S/C14H19N3O2/c18-14(12-4-13(19-16-12)11-1-2-11)17-7-9-3-10(8-17)6-15-5-9/h4,9-11,15H,1-3,5-8H2
InChIKeyQCCJZQAOUZLYQM-UHFFFAOYSA-N
XLogP1.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone with MolForge

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Related Compounds

Cym-5541
CID 17253208
N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 132242493
5-cyclopropyl-N-(1-methanesulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 45808906
5-cyclopropyl-N-[1-[[4-(dimethylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155527784
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 118949515
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 5307969
5-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5308762
N,N-dicyclohexyl[5-(methylethyl)isoxazol-3-yl]carboxamide
CID 17253281
N,N-dicyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 25110485

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (CID 59268960) is (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1cc(C2CC2)on1)N1CC2CNCC(C2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is QCCJZQAOUZLYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(12-4-13(19-16-12)11-1-2-11)17-7-9-3-10(8-17)6-15-5-9/h4,9-11,15H,1-3,5-8H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 59268960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).