[2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C23H24N4O2 — CID 126745550

IUPAC[2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-c2cc(C)on2)C3)nc1
InChIInChI=1S/C23H24N4O2/c1-14-7-8-22(24-12-14)25-20-10-16-11-21(20)27(13-16)23(28)18-6-4-3-5-17(18)19-9-15(2)29-26-19/h3-9,12,16,20-21H,10-11,13H2,1-2H3,(H,24,25)
InChIKeyGFPUMTLIGVFUEV-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.07
Rot. Bonds4

About [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 126745550) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID126745550
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-c2cc(C)on2)C3)nc1
InChIInChI=1S/C23H24N4O2/c1-14-7-8-22(24-12-14)25-20-10-16-11-21(20)27(13-16)23(28)18-6-4-3-5-17(18)19-9-15(2)29-26-19/h3-9,12,16,20-21H,10-11,13H2,1-2H3,(H,24,25)
InChIKeyGFPUMTLIGVFUEV-UHFFFAOYSA-N
XLogP4.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 126745550) is [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-c2cc(C)on2)C3)nc1.
What is the InChIKey of [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is GFPUMTLIGVFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-7-8-22(24-12-14)25-20-10-16-11-21(20)27(13-16)23(28)18-6-4-3-5-17(18)19-9-15(2)29-26-19/h3-9,12,16,20-21H,10-11,13H2,1-2H3,(H,24,25).
What are the key properties of [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 126745550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).