N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide

C11H14BrN3O2 — CID 22350688

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ncc(Br)o1
InChIInChI=1S/C11H14BrN3O2/c12-9-4-13-11(17-9)10(16)14-8-3-7-1-2-15(5-7)6-8/h4,7-8H,1-3,5-6H2,(H,14,16)
InChIKeyHRWDHHUVVCRLAY-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.26
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide (PubChem CID 22350688) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide
PubChem CID22350688
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ncc(Br)o1
InChIInChI=1S/C11H14BrN3O2/c12-9-4-13-11(17-9)10(16)14-8-3-7-1-2-15(5-7)6-8/h4,7-8H,1-3,5-6H2,(H,14,16)
InChIKeyHRWDHHUVVCRLAY-UHFFFAOYSA-N
XLogP1.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide
CID 22350338
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
CID 22350324
5-(3-aminophenyl)-N-[(3S,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-oxazole-2-carboxamide
CID 10267681
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66814602
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
CID 22350665
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide
CID 66814350
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
N-(1-azabicyclo[3.2.1]octan-3-yl)-[1,3]thiazolo[5,4-c]pyridine-6-carboxamide
CID 22591307
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide
CID 22243235

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide (CID 22350688) is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ncc(Br)o1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide?
The InChIKey is HRWDHHUVVCRLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-9-4-13-11(17-9)10(16)14-8-3-7-1-2-15(5-7)6-8/h4,7-8H,1-3,5-6H2,(H,14,16).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22350688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).