N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide

C16H14N4O4S — CID 126649211

IUPACN-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CCc1cc(C(=O)NO)no1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N4O4S/c21-14(7-6-11-8-12(20-24-11)15(22)19-23)18-16-17-13(9-25-16)10-4-2-1-3-5-10/h1-5,8-9,23H,6-7H2,(H,19,22)(H,17,18,21)
InChIKeyFAMQRYJFYVNUIF-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.49
Rot. Bonds6

About N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide

N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 126649211) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide
PubChem CID126649211
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CCc1cc(C(=O)NO)no1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N4O4S/c21-14(7-6-11-8-12(20-24-11)15(22)19-23)18-16-17-13(9-25-16)10-4-2-1-3-5-10/h1-5,8-9,23H,6-7H2,(H,19,22)(H,17,18,21)
InChIKeyFAMQRYJFYVNUIF-UHFFFAOYSA-N
XLogP2.49
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide (CID 126649211) is N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide is O=C(CCc1cc(C(=O)NO)no1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FAMQRYJFYVNUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c21-14(7-6-11-8-12(20-24-11)15(22)19-23)18-16-17-13(9-25-16)10-4-2-1-3-5-10/h1-5,8-9,23H,6-7H2,(H,19,22)(H,17,18,21).
What are the key properties of N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126649211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).