[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C17H20N6O2 — CID 70777701

IUPAC[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCCC(c4ncc[nH]4)C3)no2)cnn1C
InChIInChI=1S/C17H20N6O2/c1-11-13(9-20-22(11)2)15-8-14(21-25-15)17(24)23-7-3-4-12(10-23)16-18-5-6-19-16/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,18,19)
InChIKeyLLNPPXLXSQJDTD-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.13
Rot. Bonds3

About [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 70777701) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID70777701
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCCC(c4ncc[nH]4)C3)no2)cnn1C
InChIInChI=1S/C17H20N6O2/c1-11-13(9-20-22(11)2)15-8-14(21-25-15)17(24)23-7-3-4-12(10-23)16-18-5-6-19-16/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,18,19)
InChIKeyLLNPPXLXSQJDTD-UHFFFAOYSA-N
XLogP2.13
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 157016584
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95219384
[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 124505736
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97110759
4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56876330
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72841576
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939716
[5-(2-chlorophenyl)furan-2-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70744841
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 46968410
5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 70749547

Frequently Asked Questions

What is the IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 70777701) is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone is Cc1c(-c2cc(C(=O)N3CCCC(c4ncc[nH]4)C3)no2)cnn1C.
What is the InChIKey of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is LLNPPXLXSQJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-13(9-20-22(11)2)15-8-14(21-25-15)17(24)23-7-3-4-12(10-23)16-18-5-6-19-16/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,18,19).
What are the key properties of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70777701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).