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

C17H23N3O3 — CID 110334918

IUPAC3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
SMILESCOc1cccc(-c2nnc(CCC(=O)NCCC(C)C)o2)c1
InChIInChI=1S/C17H23N3O3/c1-12(2)9-10-18-15(21)7-8-16-19-20-17(23-16)13-5-4-6-14(11-13)22-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,21)
InChIKeySMWFMHOVOXKWER-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.84
Rot. Bonds8

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

3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide (PubChem CID 110334918) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
PubChem CID110334918
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
SMILESCOc1cccc(-c2nnc(CCC(=O)NCCC(C)C)o2)c1
InChIInChI=1S/C17H23N3O3/c1-12(2)9-10-18-15(21)7-8-16-19-20-17(23-16)13-5-4-6-14(11-13)22-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,21)
InChIKeySMWFMHOVOXKWER-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-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334870
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pentanamide
CID 110321805
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
N-(4-acetamidophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334977
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609
2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
CID 110321810
3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
CID 110333218
methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334979
N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334933

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide (CID 110334918) is 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide is COc1cccc(-c2nnc(CCC(=O)NCCC(C)C)o2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is SMWFMHOVOXKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(2)9-10-18-15(21)7-8-16-19-20-17(23-16)13-5-4-6-14(11-13)22-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,21).
What are the key properties of 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide?
3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide 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 3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 110334918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).