N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C15H18N4O3 — CID 9481051

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C)C(=O)CNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C15H18N4O3/c1-19(2)14(21)10-16-12(20)8-9-13-17-15(18-22-13)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,20)
InChIKeyJZJSSEJRNJZBMZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.87
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 9481051) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID9481051
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C)C(=O)CNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C15H18N4O3/c1-19(2)14(21)10-16-12(20)8-9-13-17-15(18-22-13)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,20)
InChIKeyJZJSSEJRNJZBMZ-UHFFFAOYSA-N
XLogP0.87
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
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CID 100762175
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 155918840
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 9481051) is N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CN(C)C(=O)CNC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JZJSSEJRNJZBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-19(2)14(21)10-16-12(20)8-9-13-17-15(18-22-13)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 302.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 9481051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).