[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C18H25N5O2 — CID 86265892

IUPAC[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C18H25N5O2/c1-11-16(12(2)22(3)20-11)18(24)23-8-4-5-13(10-23)9-15-19-17(21-25-15)14-6-7-14/h13-14H,4-10H2,1-3H3
InChIKeyMLXTVTOHXRMIHZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.39
Rot. Bonds4

About [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 86265892) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID86265892
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C18H25N5O2/c1-11-16(12(2)22(3)20-11)18(24)23-8-4-5-13(10-23)9-15-19-17(21-25-15)14-6-7-14/h13-14H,4-10H2,1-3H3
InChIKeyMLXTVTOHXRMIHZ-UHFFFAOYSA-N
XLogP2.39
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 86265892) is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCCC(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is MLXTVTOHXRMIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-16(12(2)22(3)20-11)18(24)23-8-4-5-13(10-23)9-15-19-17(21-25-15)14-6-7-14/h13-14H,4-10H2,1-3H3.
What are the key properties of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 86265892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).