N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide

C19H16N4O3S — CID 16577154

IUPACN-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESO=C(NCc1ccco1)c1ccccc1NCc1nc(-c2ccsc2)no1
InChIInChI=1S/C19H16N4O3S/c24-19(21-10-14-4-3-8-25-14)15-5-1-2-6-16(15)20-11-17-22-18(23-26-17)13-7-9-27-12-13/h1-9,12,20H,10-11H2,(H,21,24)
InChIKeyWIZAQQVTBRNFPP-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.93
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide

N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (PubChem CID 16577154) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
PubChem CID16577154
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESO=C(NCc1ccco1)c1ccccc1NCc1nc(-c2ccsc2)no1
InChIInChI=1S/C19H16N4O3S/c24-19(21-10-14-4-3-8-25-14)15-5-1-2-6-16(15)20-11-17-22-18(23-26-17)13-7-9-27-12-13/h1-9,12,20H,10-11H2,(H,21,24)
InChIKeyWIZAQQVTBRNFPP-UHFFFAOYSA-N
XLogP3.93
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 51225250
N-(furan-2-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 134018346
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 9354612
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55467216
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 24534529
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148811
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-(furan-2-ylmethyl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 35859606
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (CID 16577154) is N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is O=C(NCc1ccco1)c1ccccc1NCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The InChIKey is WIZAQQVTBRNFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-19(21-10-14-4-3-8-25-14)15-5-1-2-6-16(15)20-11-17-22-18(23-26-17)13-7-9-27-12-13/h1-9,12,20H,10-11H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide has a molecular weight of 380.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 16577154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).