N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide

C17H17N3O5 — CID 119072887

IUPACN-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCc3noc(CO)n3)o2)c1
InChIInChI=1S/C17H17N3O5/c1-23-12-4-2-3-11(9-12)13-5-6-14(24-13)17(22)18-8-7-15-19-16(10-21)25-20-15/h2-6,9,21H,7-8,10H2,1H3,(H,18,22)
InChIKeyFUCIKFSMWMYCRL-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.80
Rot. Bonds7

About N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide

N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide (PubChem CID 119072887) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide
PubChem CID119072887
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCc3noc(CO)n3)o2)c1
InChIInChI=1S/C17H17N3O5/c1-23-12-4-2-3-11(9-12)13-5-6-14(24-13)17(22)18-8-7-15-19-16(10-21)25-20-15/h2-6,9,21H,7-8,10H2,1H3,(H,18,22)
InChIKeyFUCIKFSMWMYCRL-UHFFFAOYSA-N
XLogP1.80
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110324159
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
2,3-difluoro-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-6-methoxybenzamide
CID 90648199
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110619481
N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619681
N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110356862
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
CID 91917634

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide (CID 119072887) is N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide is COc1cccc(-c2ccc(C(=O)NCCc3noc(CO)n3)o2)c1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The InChIKey is FUCIKFSMWMYCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-23-12-4-2-3-11(9-12)13-5-6-14(24-13)17(22)18-8-7-15-19-16(10-21)25-20-15/h2-6,9,21H,7-8,10H2,1H3,(H,18,22).
What are the key properties of N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-(3-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 119072887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).