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

C13H15N3O3 — CID 3359112

IUPACN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C13H15N3O3/c1-3-6-11(17)14-13-16-15-12(19-13)9-7-4-5-8-10(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16,17)
InChIKeyCMACRHVWOIKBIM-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.48
Rot. Bonds5

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

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide (PubChem CID 3359112) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
PubChem CID3359112
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C13H15N3O3/c1-3-6-11(17)14-13-16-15-12(19-13)9-7-4-5-8-10(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16,17)
InChIKeyCMACRHVWOIKBIM-UHFFFAOYSA-N
XLogP2.48
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 5094803
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4189128
2-(benzenesulfonyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7544601
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3367763
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
2,3-dimethoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7243979
N-(2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334805
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 16854243
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 43972062
N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 92644483
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentylacetamide
CID 78815174

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide (CID 3359112) is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide is CCCC(=O)Nc1nnc(-c2ccccc2OC)o1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The InChIKey is CMACRHVWOIKBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-6-11(17)14-13-16-15-12(19-13)9-7-4-5-8-10(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16,17).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide has a molecular weight of 261.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide is sourced from PubChem (CID 3359112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).