N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

C17H22N4O3 — CID 38817806

IUPACN,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCC(C)c1noc(CCC(=O)Nc2cccc(C(=O)N(C)C)c2)n1
InChIInChI=1S/C17H22N4O3/c1-11(2)16-19-15(24-20-16)9-8-14(22)18-13-7-5-6-12(10-13)17(23)21(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,18,22)
InChIKeyPUAABNKTIDWEHO-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.47
Rot. Bonds6

About N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 38817806) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID38817806
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCC(C)c1noc(CCC(=O)Nc2cccc(C(=O)N(C)C)c2)n1
InChIInChI=1S/C17H22N4O3/c1-11(2)16-19-15(24-20-16)9-8-14(22)18-13-7-5-6-12(10-13)17(23)21(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,18,22)
InChIKeyPUAABNKTIDWEHO-UHFFFAOYSA-N
XLogP2.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-(4-tert-butylphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46446507
2-[2-fluoro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]acetic acid
CID 122110181
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 43351280
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47029394
2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid
CID 120697646
N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 46616250
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47054946
N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide
CID 39295648

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 38817806) is N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is CC(C)c1noc(CCC(=O)Nc2cccc(C(=O)N(C)C)c2)n1.
What is the InChIKey of N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is PUAABNKTIDWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)16-19-15(24-20-16)9-8-14(22)18-13-7-5-6-12(10-13)17(23)21(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,18,22).
What are the key properties of N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 330.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 38817806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).