N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide

C17H17N3O3 — CID 6463794

IUPACN-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-3-20(17(21)14-8-5-9-22-14)11-15-18-16(19-23-15)13-7-4-6-12(2)10-13/h4-10H,3,11H2,1-2H3
InChIKeySQSUAMSTAOXLNZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.30
Rot. Bonds5

About N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide

N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 6463794) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID6463794
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-3-20(17(21)14-8-5-9-22-14)11-15-18-16(19-23-15)13-7-4-6-12(2)10-13/h4-10H,3,11H2,1-2H3
InChIKeySQSUAMSTAOXLNZ-UHFFFAOYSA-N
XLogP3.30
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44374124
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CID 44374162
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CID 44520933
CID 44520933
CID 2990373
CID 2990373
CID 6458057
CID 6458057
CID 6458740
CID 6458740
CID 6459151
CID 6459151
CID 6460613
CID 6460613
CID 6461363
CID 6461363
CID 6462763
CID 6462763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 6463794) is N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccco1.
What is the InChIKey of N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is SQSUAMSTAOXLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-20(17(21)14-8-5-9-22-14)11-15-18-16(19-23-15)13-7-4-6-12(2)10-13/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 6463794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).