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

C18H13N3O3S — CID 90563812

IUPACN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccoc1
InChIInChI=1S/C18H13N3O3S/c22-18(13-7-8-23-11-13)19-14-5-2-1-4-12(14)10-16-20-17(21-24-16)15-6-3-9-25-15/h1-9,11H,10H2,(H,19,22)
InChIKeyULZKRHIWMHNTTE-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.23
Rot. Bonds5

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

N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide (PubChem CID 90563812) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
PubChem CID90563812
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccoc1
InChIInChI=1S/C18H13N3O3S/c22-18(13-7-8-23-11-13)19-14-5-2-1-4-12(14)10-16-20-17(21-24-16)15-6-3-9-25-15/h1-9,11H,10H2,(H,19,22)
InChIKeyULZKRHIWMHNTTE-UHFFFAOYSA-N
XLogP4.23
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563793
1-phenyl-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563863
5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 86263846
2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563709
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563659
2,4-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563708
3-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563664
3,3-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563665
2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide
CID 71800611
2-indol-1-yl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90563624
1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563880
1-(3-phenylpropyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563896

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide (CID 90563812) is N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccoc1.
What is the InChIKey of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide?
The InChIKey is ULZKRHIWMHNTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-18(13-7-8-23-11-13)19-14-5-2-1-4-12(14)10-16-20-17(21-24-16)15-6-3-9-25-15/h1-9,11H,10H2,(H,19,22).
What are the key properties of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide?
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 90563812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).