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

C15H12ClN3O3 — CID 6462116

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccco1
InChIInChI=1S/C15H12ClN3O3/c1-19(15(20)12-3-2-8-21-12)9-13-17-14(18-22-13)10-4-6-11(16)7-5-10/h2-8H,9H2,1H3
InChIKeyYUNSUPDCMAXJDJ-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.26
Rot. Bonds4

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 6462116) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide
PubChem CID6462116
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccco1
InChIInChI=1S/C15H12ClN3O3/c1-19(15(20)12-3-2-8-21-12)9-13-17-14(18-22-13)10-4-6-11(16)7-5-10/h2-8H,9H2,1H3
InChIKeyYUNSUPDCMAXJDJ-UHFFFAOYSA-N
XLogP3.26
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide (CID 6462116) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide is CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccco1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is YUNSUPDCMAXJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-19(15(20)12-3-2-8-21-12)9-13-17-14(18-22-13)10-4-6-11(16)7-5-10/h2-8H,9H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 317.73 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 6462116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).