2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H19N5O3 — CID 814069

IUPAC2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H19N5O3/c1-3-7-22(11-16(23)20-15-8-12(2)25-21-15)17(24)19-14-6-4-5-13(9-14)10-18/h4-6,8-9H,3,7,11H2,1-2H3,(H,19,24)(H,20,21,23)
InChIKeyUZYRTFSCMGPOLP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.74
Rot. Bonds6

About 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 814069) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID814069
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H19N5O3/c1-3-7-22(11-16(23)20-15-8-12(2)25-21-15)17(24)19-14-6-4-5-13(9-14)10-18/h4-6,8-9H,3,7,11H2,1-2H3,(H,19,24)(H,20,21,23)
InChIKeyUZYRTFSCMGPOLP-UHFFFAOYSA-N
XLogP2.74
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate
CID 61008516
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770425
2-[(3-chlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4129176
3-N-(3-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109078
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3637081
N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038792
2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769233
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenoxyacetyl)-propylamino]acetamide
CID 4117230
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42768818
1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056658
2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769251

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 814069) is 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UZYRTFSCMGPOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-7-22(11-16(23)20-15-8-12(2)25-21-15)17(24)19-14-6-4-5-13(9-14)10-18/h4-6,8-9H,3,7,11H2,1-2H3,(H,19,24)(H,20,21,23).
What are the key properties of 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 814069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).