3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole

C19H24N4O — CID 97328833

IUPAC3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1ccc2nc([C@H]3CCCN(Cc4c(C)noc4C)C3)[nH]c2c1
InChIInChI=1S/C19H24N4O/c1-12-6-7-17-18(9-12)21-19(20-17)15-5-4-8-23(10-15)11-16-13(2)22-24-14(16)3/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyYVQQKNZCUULKBI-HNNXBMFYSA-N
MW324.43 g/mol
LogP3.86
Rot. Bonds3

About 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 97328833) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID97328833
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1ccc2nc([C@H]3CCCN(Cc4c(C)noc4C)C3)[nH]c2c1
InChIInChI=1S/C19H24N4O/c1-12-6-7-17-18(9-12)21-19(20-17)15-5-4-8-23(10-15)11-16-13(2)22-24-14(16)3/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyYVQQKNZCUULKBI-HNNXBMFYSA-N
XLogP3.86
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 97328833) is 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1ccc2nc([C@H]3CCCN(Cc4c(C)noc4C)C3)[nH]c2c1.
What is the InChIKey of 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is YVQQKNZCUULKBI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-6-7-17-18(9-12)21-19(20-17)15-5-4-8-23(10-15)11-16-13(2)22-24-14(16)3/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 324.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97328833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).