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

C19H19N3O3S — CID 135101820

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc(SCc2ccc(C(=O)NCc3nc(C4CC4)no3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-12-2-7-15(8-3-12)26-11-14-6-9-16(24-14)19(23)20-10-17-21-18(22-25-17)13-4-5-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,20,23)
InChIKeyMZYQFGNHNRAATJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.07
Rot. Bonds7

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 135101820) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
PubChem CID135101820
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc(SCc2ccc(C(=O)NCc3nc(C4CC4)no3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-12-2-7-15(8-3-12)26-11-14-6-9-16(24-14)19(23)20-10-17-21-18(22-25-17)13-4-5-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,20,23)
InChIKeyMZYQFGNHNRAATJ-UHFFFAOYSA-N
XLogP4.07
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide (CID 135101820) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide is Cc1ccc(SCc2ccc(C(=O)NCc3nc(C4CC4)no3)o2)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is MZYQFGNHNRAATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-2-7-15(8-3-12)26-11-14-6-9-16(24-14)19(23)20-10-17-21-18(22-25-17)13-4-5-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 135101820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).