N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide

C23H19N5O4 — CID 146129396

IUPACN-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1
InChIInChI=1S/C23H19N5O4/c1-2-20(29)25-14-6-8-15(9-7-14)26-21(30)22(31)27-16-10-11-17-19(13-16)32-23(28-17)18-5-3-4-12-24-18/h3-13H,2H2,1H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyRPIHPGXVONTYGK-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.82
Rot. Bonds5

About N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide

N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide (PubChem CID 146129396) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide
PubChem CID146129396
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC NameN-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1
InChIInChI=1S/C23H19N5O4/c1-2-20(29)25-14-6-8-15(9-7-14)26-21(30)22(31)27-16-10-11-17-19(13-16)32-23(28-17)18-5-3-4-12-24-18/h3-13H,2H2,1H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyRPIHPGXVONTYGK-UHFFFAOYSA-N
XLogP3.82
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
CID 97339290
4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid
CID 122089064
1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
CID 84597798
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide
CID 166322453
5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102761
(3aR,7aS)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 146150026
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
CID 9322566
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3-ethoxybenzoate
CID 110494824
N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide
CID 143309402

Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide?
The IUPAC name of N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide (CID 146129396) is N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide.
What is the SMILES notation for N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide?
The canonical SMILES for N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide is CCC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1.
What is the InChIKey of N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide?
The InChIKey is RPIHPGXVONTYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-2-20(29)25-14-6-8-15(9-7-14)26-21(30)22(31)27-16-10-11-17-19(13-16)32-23(28-17)18-5-3-4-12-24-18/h3-13H,2H2,1H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide?
N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide has a molecular weight of 429.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide is sourced from PubChem (CID 146129396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).