N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide

C9H11N3O2 — CID 131059278

IUPACN-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide
SMILESO=C(Nc1cnoc1)C1C2CNC1C2
InChIInChI=1S/C9H11N3O2/c13-9(12-6-3-11-14-4-6)8-5-1-7(8)10-2-5/h3-5,7-8,10H,1-2H2,(H,12,13)
InChIKeyINRNKLDMLBIENH-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.22
Rot. Bonds2

About N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide

N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide (PubChem CID 131059278) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide
PubChem CID131059278
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide
SMILESO=C(Nc1cnoc1)C1C2CNC1C2
InChIInChI=1S/C9H11N3O2/c13-9(12-6-3-11-14-4-6)8-5-1-7(8)10-2-5/h3-5,7-8,10H,1-2H2,(H,12,13)
InChIKeyINRNKLDMLBIENH-UHFFFAOYSA-N
XLogP0.22
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 62902745
N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide
CID 130826214
4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390961
6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 62903979
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566319
N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62902385
(3R)-N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55130680
(2R)-N-(1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 130616436
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76977109
4-(ethylamino)-N-(1,2-oxazol-4-yl)oxolane-3-carboxamide
CID 66259686
2-azabicyclo[2.1.1]hexan-5-yl(phenyl)methanone
CID 130787832
4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid
CID 62904536

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The IUPAC name of N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide (CID 131059278) is N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The canonical SMILES for N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide is O=C(Nc1cnoc1)C1C2CNC1C2.
What is the InChIKey of N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The InChIKey is INRNKLDMLBIENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(12-6-3-11-14-4-6)8-5-1-7(8)10-2-5/h3-5,7-8,10H,1-2H2,(H,12,13).
What are the key properties of N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide?
N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide is sourced from PubChem (CID 131059278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).