4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

C18H17N3O3 — CID 53032993

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)o1
InChIInChI=1S/C18H17N3O3/c1-11-2-9-15(23-11)10-19-17(22)13-5-3-12(4-6-13)16-20-18(24-21-16)14-7-8-14/h2-6,9,14H,7-8,10H2,1H3,(H,19,22)
InChIKeyRVIOVYMKJISNJM-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.45
Rot. Bonds5

About 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 53032993) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID53032993
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)o1
InChIInChI=1S/C18H17N3O3/c1-11-2-9-15(23-11)10-19-17(22)13-5-3-12(4-6-13)16-20-18(24-21-16)14-7-8-14/h2-6,9,14H,7-8,10H2,1H3,(H,19,22)
InChIKeyRVIOVYMKJISNJM-UHFFFAOYSA-N
XLogP3.45
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 56706456
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 46292695
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide
CID 56883579
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50754879
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 53130355
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
CID 121498861

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 53032993) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)o1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is RVIOVYMKJISNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-2-9-15(23-11)10-19-17(22)13-5-3-12(4-6-13)16-20-18(24-21-16)14-7-8-14/h2-6,9,14H,7-8,10H2,1H3,(H,19,22).
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 53032993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).