[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone

C18H27N5O2 — CID 56817834

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone
SMILESCCCc1c(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cnn1C
InChIInChI=1S/C18H27N5O2/c1-5-6-17-15(11-19-21(17)4)18(24)23-9-7-22(8-10-23)12-16-13(2)20-25-14(16)3/h11H,5-10,12H2,1-4H3
InChIKeyPLSOAODPLBIWEJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.94
Rot. Bonds5

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone (PubChem CID 56817834) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone
PubChem CID56817834
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone
SMILESCCCc1c(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cnn1C
InChIInChI=1S/C18H27N5O2/c1-5-6-17-15(11-19-21(17)4)18(24)23-9-7-22(8-10-23)12-16-13(2)20-25-14(16)3/h11H,5-10,12H2,1-4H3
InChIKeyPLSOAODPLBIWEJ-UHFFFAOYSA-N
XLogP1.94
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71782745
[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 126768461
[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55718988
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 35252936
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
CID 51078843
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 60508579
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
CID 96559171
[2-(difluoromethoxy)phenyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55544136
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 46427100
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110646581
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 60508626

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone (CID 56817834) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone is CCCc1c(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cnn1C.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone?
The InChIKey is PLSOAODPLBIWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-6-17-15(11-19-21(17)4)18(24)23-9-7-22(8-10-23)12-16-13(2)20-25-14(16)3/h11H,5-10,12H2,1-4H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 56817834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).