N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide

C18H15N5O3 — CID 20931696

IUPACN-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H15N5O3/c1-12-15(11-23(21-12)13-6-3-2-4-7-13)16-20-18(26-22-16)17(24)19-10-14-8-5-9-25-14/h2-9,11H,10H2,1H3,(H,19,24)
InChIKeyOMBCKAFYKUMWPY-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.75
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide

N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931696) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID20931696
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H15N5O3/c1-12-15(11-23(21-12)13-6-3-2-4-7-13)16-20-18(26-22-16)17(24)19-10-14-8-5-9-25-14/h2-9,11H,10H2,1H3,(H,19,24)
InChIKeyOMBCKAFYKUMWPY-UHFFFAOYSA-N
XLogP2.75
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide (CID 20931696) is N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide is Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OMBCKAFYKUMWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-12-15(11-23(21-12)13-6-3-2-4-7-13)16-20-18(26-22-16)17(24)19-10-14-8-5-9-25-14/h2-9,11H,10H2,1H3,(H,19,24).
What are the key properties of N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).