N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide

C15H18N4O3 — CID 47093633

IUPACN-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
SMILESCCNC(=O)C(=O)NCc1nc(-c2ccc(CC)cc2)no1
InChIInChI=1S/C15H18N4O3/c1-3-10-5-7-11(8-6-10)13-18-12(22-19-13)9-17-15(21)14(20)16-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyWQTYKOFBEIJULB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.05
Rot. Bonds5

About N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide

N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide (PubChem CID 47093633) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
PubChem CID47093633
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
SMILESCCNC(=O)C(=O)NCc1nc(-c2ccc(CC)cc2)no1
InChIInChI=1S/C15H18N4O3/c1-3-10-5-7-11(8-6-10)13-18-12(22-19-13)9-17-15(21)14(20)16-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyWQTYKOFBEIJULB-UHFFFAOYSA-N
XLogP1.05
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409
N-ethyl-2-[ethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
CID 8683243
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912306
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 60603137

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide?
The IUPAC name of N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide (CID 47093633) is N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide.
What is the SMILES notation for N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide?
The canonical SMILES for N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide is CCNC(=O)C(=O)NCc1nc(-c2ccc(CC)cc2)no1.
What is the InChIKey of N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide?
The InChIKey is WQTYKOFBEIJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-10-5-7-11(8-6-10)13-18-12(22-19-13)9-17-15(21)14(20)16-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide?
N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide has a molecular weight of 302.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide is sourced from PubChem (CID 47093633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).