[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C19H23N5O3 — CID 70743968

IUPAC[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCCC3c3nc(C(C)C)no3)n[nH]2)o1
InChIInChI=1S/C19H23N5O3/c1-11(2)17-20-18(27-23-17)15-6-4-5-9-24(15)19(25)14-10-13(21-22-14)16-8-7-12(3)26-16/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,21,22)
InChIKeyIJFCELFUIWZZBW-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.85
Rot. Bonds4

About [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 70743968) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID70743968
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCCC3c3nc(C(C)C)no3)n[nH]2)o1
InChIInChI=1S/C19H23N5O3/c1-11(2)17-20-18(27-23-17)15-6-4-5-9-24(15)19(25)14-10-13(21-22-14)16-8-7-12(3)26-16/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,21,22)
InChIKeyIJFCELFUIWZZBW-UHFFFAOYSA-N
XLogP3.85
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 70743968) is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCCC3c3nc(C(C)C)no3)n[nH]2)o1.
What is the InChIKey of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is IJFCELFUIWZZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11(2)17-20-18(27-23-17)15-6-4-5-9-24(15)19(25)14-10-13(21-22-14)16-8-7-12(3)26-16/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,21,22).
What are the key properties of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70743968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).