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

C18H15N5O4 — CID 50755663

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCc1noc(-c2ccco2)n1
InChIInChI=1S/C18H15N5O4/c24-15(19-11-14-20-18(27-22-14)13-7-4-10-25-13)8-9-16-21-17(23-26-16)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,19,24)
InChIKeyGMPCGBRSNLLAFM-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.63
Rot. Bonds7

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

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 50755663) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID50755663
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCc1noc(-c2ccco2)n1
InChIInChI=1S/C18H15N5O4/c24-15(19-11-14-20-18(27-22-14)13-7-4-10-25-13)8-9-16-21-17(23-26-16)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,19,24)
InChIKeyGMPCGBRSNLLAFM-UHFFFAOYSA-N
XLogP2.63
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 50755689
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide
CID 8546312
4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 136513569
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51132390
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 50755663) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)NCc1noc(-c2ccco2)n1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GMPCGBRSNLLAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c24-15(19-11-14-20-18(27-22-14)13-7-4-10-25-13)8-9-16-21-17(23-26-16)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,19,24).
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 365.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 50755663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).