N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide

C19H25N5O2 — CID 66874058

IUPACN-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide
SMILESO=C(N[C@@H]1CC2CCN1CC2)c1cccc2oc(N3CCNCC3)nc12
InChIInChI=1S/C19H25N5O2/c25-18(21-16-12-13-4-8-23(16)9-5-13)14-2-1-3-15-17(14)22-19(26-15)24-10-6-20-7-11-24/h1-3,13,16,20H,4-12H2,(H,21,25)/t16-/m0/s1
InChIKeyDLLVDGZXJRULFB-INIZCTEOSA-N
MW355.44 g/mol
LogP1.41
Rot. Bonds3

About N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide

N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide (PubChem CID 66874058) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide
PubChem CID66874058
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide
SMILESO=C(N[C@@H]1CC2CCN1CC2)c1cccc2oc(N3CCNCC3)nc12
InChIInChI=1S/C19H25N5O2/c25-18(21-16-12-13-4-8-23(16)9-5-13)14-2-1-3-15-17(14)22-19(26-15)24-10-6-20-7-11-24/h1-3,13,16,20H,4-12H2,(H,21,25)/t16-/m0/s1
InChIKeyDLLVDGZXJRULFB-INIZCTEOSA-N
XLogP1.41
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-1-yl-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 66873979
N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide
CID 69229027
N-[(2R)-1-azabicyclo[2.2.2]octan-2-yl]-1H-indazole-7-carboxamide;hydrochloride
CID 69229026
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-benzoxazole-4-carboxamide
CID 24851722
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(2S)-2-methylpiperazin-1-yl]-1,3-benzoxazole-4-carboxamide
CID 66874655
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 66873673
ethane;2-[(3S)-3-ethylpiperazin-1-yl]-N-(6-methyl-7-methylidene-6-azabicyclo[3.1.1]heptan-3-yl)-1,3-benzoxazole-4-carboxamide
CID 143625900
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide
CID 58085863
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dimethylpiperazin-1-yl)-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 66891656
methyl 2-(4-methylpiperazin-1-yl)-1,3-benzoxazole-4-carboxylate
CID 66874717
N-(2-iodo-1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide
CID 69177534
N-(9-azabicyclo[3.3.1]nonan-3-yl)-2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 66874210

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide (CID 66874058) is N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide is O=C(N[C@@H]1CC2CCN1CC2)c1cccc2oc(N3CCNCC3)nc12.
What is the InChIKey of N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide?
The InChIKey is DLLVDGZXJRULFB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-18(21-16-12-13-4-8-23(16)9-5-13)14-2-1-3-15-17(14)22-19(26-15)24-10-6-20-7-11-24/h1-3,13,16,20H,4-12H2,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide?
N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-2-piperazin-1-yl-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 66874058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).