N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide

C17H22N4O3 — CID 71856770

IUPACN',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide
SMILESCCN(CC)C(=O)CCC(=O)Nc1nonc1-c1ccc(C)cc1
InChIInChI=1S/C17H22N4O3/c1-4-21(5-2)15(23)11-10-14(22)18-17-16(19-24-20-17)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,18,20,22)
InChIKeySQPXVEAEKDNAFX-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.63
Rot. Bonds7

About N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide

N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide (PubChem CID 71856770) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide
PubChem CID71856770
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide
SMILESCCN(CC)C(=O)CCC(=O)Nc1nonc1-c1ccc(C)cc1
InChIInChI=1S/C17H22N4O3/c1-4-21(5-2)15(23)11-10-14(22)18-17-16(19-24-20-17)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,18,20,22)
InChIKeySQPXVEAEKDNAFX-UHFFFAOYSA-N
XLogP2.63
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 7711361
N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 7708593
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 19244563
2-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 17013049
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17014054
3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
CID 7678267
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 23610323
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17013592
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945744
N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 1108413
N-(6-amino-3-pyridinyl)-N',N'-diethylbutanediamide
CID 119516391
N',N'-diethyl-N-pyrazin-2-ylbutanediamide
CID 75508705

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide?
The IUPAC name of N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide (CID 71856770) is N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide.
What is the SMILES notation for N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide?
The canonical SMILES for N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide is CCN(CC)C(=O)CCC(=O)Nc1nonc1-c1ccc(C)cc1.
What is the InChIKey of N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide?
The InChIKey is SQPXVEAEKDNAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-21(5-2)15(23)11-10-14(22)18-17-16(19-24-20-17)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,18,20,22).
What are the key properties of N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide?
N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide has a molecular weight of 330.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanediamide is sourced from PubChem (CID 71856770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).