5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H19N5O3 — CID 118780006

IUPAC5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3noc(C(C)C)n3)n[nH]2)o1
InChIInChI=1S/C16H19N5O3/c1-9(2)16-18-14(21-24-16)6-7-17-15(22)12-8-11(19-20-12)13-5-4-10(3)23-13/h4-5,8-9H,6-7H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyAFFBIFWBUCSUAU-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.46
Rot. Bonds6

About 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 118780006) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID118780006
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3noc(C(C)C)n3)n[nH]2)o1
InChIInChI=1S/C16H19N5O3/c1-9(2)16-18-14(21-24-16)6-7-17-15(22)12-8-11(19-20-12)13-5-4-10(3)23-13/h4-5,8-9H,6-7H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyAFFBIFWBUCSUAU-UHFFFAOYSA-N
XLogP2.46
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 118780006) is 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCc3noc(C(C)C)n3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AFFBIFWBUCSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-9(2)16-18-14(21-24-16)6-7-17-15(22)12-8-11(19-20-12)13-5-4-10(3)23-13/h4-5,8-9H,6-7H2,1-3H3,(H,17,22)(H,19,20).
What are the key properties of 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118780006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).