3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole

C17H23N3O — CID 92561583

IUPAC3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole
SMILESCc1cc([C@H]2CCCCCN2Cc2cccc(C)n2)on1
InChIInChI=1S/C17H23N3O/c1-13-7-6-8-15(18-13)12-20-10-5-3-4-9-16(20)17-11-14(2)19-21-17/h6-8,11,16H,3-5,9-10,12H2,1-2H3/t16-/m1/s1
InChIKeyVVLSVDXCHOUFTC-MRXNPFEDSA-N
MW285.39 g/mol
LogP3.80
Rot. Bonds3

About 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole

3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole (PubChem CID 92561583) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole
PubChem CID92561583
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole
SMILESCc1cc([C@H]2CCCCCN2Cc2cccc(C)n2)on1
InChIInChI=1S/C17H23N3O/c1-13-7-6-8-15(18-13)12-20-10-5-3-4-9-16(20)17-11-14(2)19-21-17/h6-8,11,16H,3-5,9-10,12H2,1-2H3/t16-/m1/s1
InChIKeyVVLSVDXCHOUFTC-MRXNPFEDSA-N
XLogP3.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-[(3-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584498
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502
5-[1-[(4-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 46952927
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
3-methyl-5-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 92554050
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 92554049
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 92554036
3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 77097752
3-[[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methyl]chromen-4-one
CID 110214920

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole (CID 92561583) is 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole is Cc1cc([C@H]2CCCCCN2Cc2cccc(C)n2)on1.
What is the InChIKey of 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole?
The InChIKey is VVLSVDXCHOUFTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-7-6-8-15(18-13)12-20-10-5-3-4-9-16(20)17-11-14(2)19-21-17/h6-8,11,16H,3-5,9-10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole?
3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole has a molecular weight of 285.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole is sourced from PubChem (CID 92561583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).