2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide

C15H16N4O5 — CID 174675873

IUPAC2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide
SMILESCNC(=O)C(O)(C(N)=O)N(C)C(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H16N4O5/c1-17-14(22)15(23,13(16)21)19(2)12(20)10-5-3-9(4-6-10)11-7-18-8-24-11/h3-8,23H,1-2H3,(H2,16,21)(H,17,22)
InChIKeyYXIUDCDKEGBCLW-UHFFFAOYSA-N
MW332.32 g/mol
LogP-0.67
Rot. Bonds5

About 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide

2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide (PubChem CID 174675873) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide.

Molecular Properties

Compound Name2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide
PubChem CID174675873
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide
SMILESCNC(=O)C(O)(C(N)=O)N(C)C(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H16N4O5/c1-17-14(22)15(23,13(16)21)19(2)12(20)10-5-3-9(4-6-10)11-7-18-8-24-11/h3-8,23H,1-2H3,(H2,16,21)(H,17,22)
InChIKeyYXIUDCDKEGBCLW-UHFFFAOYSA-N
XLogP-0.67
TPSA138.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methylphenyl)-1,3-oxazole
CID 2739179
4-(5-Oxazolyl)benzylamine
CID 21930993
(4r)-1-(3,3-Dimethylbutanoyl)-4-Hydroxy-N-[4-(1,3-Oxazol-5-Yl)benzyl]-L-Prolinamide
CID 77232223
4-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzamide
CID 16110706
N-methyl-2-oxo-8-(2-phenyl-1,3-oxazol-5-yl)octanamide
CID 44349719
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-oxazol-5-ylphenyl)ethane-1,2-dione
CID 45272998
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((5-phenyl-2-oxazolyl)methyl)amino)-
CID 454392
(2s,4r)-1-Ethanoyl-N-[[4-(1,3-Oxazol-5-Yl)phenyl]methyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamide
CID 71819706
(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 104902976
4-(1,3-oxazol-5-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 58965387
tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate
CID 73291736
4-[Cyclopropyl-(4-oxazol-5-yl-benzoyl)-amino]-piperidine-1-carboxylic acid 1-methyl-cyclopropyl ester
CID 73387916

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide?
The IUPAC name of 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide (CID 174675873) is 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide.
What is the SMILES notation for 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide?
The canonical SMILES for 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide is CNC(=O)C(O)(C(N)=O)N(C)C(=O)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide?
The InChIKey is YXIUDCDKEGBCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-17-14(22)15(23,13(16)21)19(2)12(20)10-5-3-9(4-6-10)11-7-18-8-24-11/h3-8,23H,1-2H3,(H2,16,21)(H,17,22).
What are the key properties of 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide?
2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide has a molecular weight of 332.32 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-methyl-2-[methyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]propanediamide is sourced from PubChem (CID 174675873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).