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

C17H23N3O3 — CID 110321810

IUPAC2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C17H23N3O3/c1-4-12(5-2)16(21)18-10-9-15-19-20-17(23-15)13-7-6-8-14(11-13)22-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,21)
InChIKeyVYSKYHDQXXUGCQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.84
Rot. Bonds8

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

2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide (PubChem CID 110321810) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
PubChem CID110321810
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C17H23N3O3/c1-4-12(5-2)16(21)18-10-9-15-19-20-17(23-15)13-7-6-8-14(11-13)22-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,21)
InChIKeyVYSKYHDQXXUGCQ-UHFFFAOYSA-N
XLogP2.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pentanamide
CID 110321805
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321819
4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321827
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110321850
3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110334918
N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334870
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
ethyl 2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-oxoacetate
CID 110320032
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide (CID 110321810) is 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide is CCC(CC)C(=O)NCCc1nnc(-c2cccc(OC)c2)o1.
What is the InChIKey of 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide?
The InChIKey is VYSKYHDQXXUGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-12(5-2)16(21)18-10-9-15-19-20-17(23-15)13-7-6-8-14(11-13)22-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,21).
What are the key properties of 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide?
2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide has a molecular weight of 317.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 110321810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).