(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C17H19N5O2 — CID 95309406

IUPAC(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NCCNC(=O)C2=NO[C@H](c3ccccc3)C2)nn1
InChIInChI=1S/C17H19N5O2/c1-12-7-8-16(21-20-12)18-9-10-19-17(23)14-11-15(24-22-14)13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3,(H,18,21)(H,19,23)/t15-/m0/s1
InChIKeyURIQCYQYKQRBOC-HNNXBMFYSA-N
MW325.37 g/mol
LogP1.83
Rot. Bonds6

About (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 95309406) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID95309406
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NCCNC(=O)C2=NO[C@H](c3ccccc3)C2)nn1
InChIInChI=1S/C17H19N5O2/c1-12-7-8-16(21-20-12)18-9-10-19-17(23)14-11-15(24-22-14)13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3,(H,18,21)(H,19,23)/t15-/m0/s1
InChIKeyURIQCYQYKQRBOC-HNNXBMFYSA-N
XLogP1.83
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 95309406) is (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is Cc1ccc(NCCNC(=O)C2=NO[C@H](c3ccccc3)C2)nn1.
What is the InChIKey of (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is URIQCYQYKQRBOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-7-8-16(21-20-12)18-9-10-19-17(23)14-11-15(24-22-14)13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3,(H,18,21)(H,19,23)/t15-/m0/s1.
What are the key properties of (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95309406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).