3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide

C20H23N3O4 — CID 24791038

IUPAC3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCc2nnc(-c3cc(C)oc3C)o2)c1
InChIInChI=1S/C20H23N3O4/c1-13-11-17(14(2)26-13)20-23-22-19(27-20)8-7-18(24)21-10-9-15-5-4-6-16(12-15)25-3/h4-6,11-12H,7-10H2,1-3H3,(H,21,24)
InChIKeyYRUKYMMAICASJP-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.25
Rot. Bonds8

About 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide

3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 24791038) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID24791038
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCc2nnc(-c3cc(C)oc3C)o2)c1
InChIInChI=1S/C20H23N3O4/c1-13-11-17(14(2)26-13)20-23-22-19(27-20)8-7-18(24)21-10-9-15-5-4-6-16(12-15)25-3/h4-6,11-12H,7-10H2,1-3H3,(H,21,24)
InChIKeyYRUKYMMAICASJP-UHFFFAOYSA-N
XLogP3.25
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110334494
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N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620
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CID 42344834
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
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3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
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2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
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3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pentanamide
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N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 24791038) is 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCc2nnc(-c3cc(C)oc3C)o2)c1.
What is the InChIKey of 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is YRUKYMMAICASJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-11-17(14(2)26-13)20-23-22-19(27-20)8-7-18(24)21-10-9-15-5-4-6-16(12-15)25-3/h4-6,11-12H,7-10H2,1-3H3,(H,21,24).
What are the key properties of 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 369.42 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 24791038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).