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

C16H15N3O3 — CID 6464114

IUPACN-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(-c2noc(CN(C)C(=O)c3ccco3)n2)c1
InChIInChI=1S/C16H15N3O3/c1-11-5-3-6-12(9-11)15-17-14(22-18-15)10-19(2)16(20)13-7-4-8-21-13/h3-9H,10H2,1-2H3
InChIKeyHRHBNNUQNRIRJJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.91
Rot. Bonds4

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

N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 6464114) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID6464114
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(-c2noc(CN(C)C(=O)c3ccco3)n2)c1
InChIInChI=1S/C16H15N3O3/c1-11-5-3-6-12(9-11)15-17-14(22-18-15)10-19(2)16(20)13-7-4-8-21-13/h3-9H,10H2,1-2H3
InChIKeyHRHBNNUQNRIRJJ-UHFFFAOYSA-N
XLogP2.91
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 6464114) is N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is Cc1cccc(-c2noc(CN(C)C(=O)c3ccco3)n2)c1.
What is the InChIKey of N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is HRHBNNUQNRIRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-5-3-6-12(9-11)15-17-14(22-18-15)10-19(2)16(20)13-7-4-8-21-13/h3-9H,10H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 6464114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).