N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H17N3O3S — CID 18100625

IUPACN-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)N(Cc1ccco1)c1ccccc1
InChIInChI=1S/C20H17N3O3S/c24-19(11-10-18-21-20(22-26-18)17-9-5-13-27-17)23(14-16-8-4-12-25-16)15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2
InChIKeyYKQUBKOBHJQVQE-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.56
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18100625) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18100625
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)N(Cc1ccco1)c1ccccc1
InChIInChI=1S/C20H17N3O3S/c24-19(11-10-18-21-20(22-26-18)17-9-5-13-27-17)23(14-16-8-4-12-25-16)15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2
InChIKeyYKQUBKOBHJQVQE-UHFFFAOYSA-N
XLogP4.56
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18111822
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 120649292
N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012548
N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60558345
2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119198537
3-(furan-2-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 30126710
N-methyl-N-(2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134058828
N-benzyl-N-(5-chloro-2-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86890718
N-methyl-N-(thiophen-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117389
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233348
2-[2-methoxyethyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119189502
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596630

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18100625) is N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)N(Cc1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is YKQUBKOBHJQVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-19(11-10-18-21-20(22-26-18)17-9-5-13-27-17)23(14-16-8-4-12-25-16)15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2.
What are the key properties of N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 379.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18100625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).