N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide

C16H16N4O3S — CID 58924447

IUPACN-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(-c2csc(CNCCc3ccccc3)n2)on1
InChIInChI=1S/C16H16N4O3S/c21-16(19-22)12-8-14(23-20-12)13-10-24-15(18-13)9-17-7-6-11-4-2-1-3-5-11/h1-5,8,10,17,22H,6-7,9H2,(H,19,21)
InChIKeyZTXYEMWSDGUDAM-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.25
Rot. Bonds7

About N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide

N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 58924447) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID58924447
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(-c2csc(CNCCc3ccccc3)n2)on1
InChIInChI=1S/C16H16N4O3S/c21-16(19-22)12-8-14(23-20-12)13-10-24-15(18-13)9-17-7-6-11-4-2-1-3-5-11/h1-5,8,10,17,22H,6-7,9H2,(H,19,21)
InChIKeyZTXYEMWSDGUDAM-UHFFFAOYSA-N
XLogP2.25
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide (CID 58924447) is N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide is O=C(NO)c1cc(-c2csc(CNCCc3ccccc3)n2)on1.
What is the InChIKey of N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZTXYEMWSDGUDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c21-16(19-22)12-8-14(23-20-12)13-10-24-15(18-13)9-17-7-6-11-4-2-1-3-5-11/h1-5,8,10,17,22H,6-7,9H2,(H,19,21).
What are the key properties of N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[2-[(2-phenylethylamino)methyl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 58924447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).