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

C18H18N4O4S — CID 44574139

IUPACN-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CCCCc1cc(C(=O)NO)no1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N4O4S/c23-16(9-5-4-8-13-10-14(22-26-13)17(24)21-25)20-18-19-15(11-27-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,21,24)(H,19,20,23)
InChIKeyVETFNWHZDHZTFS-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.27
Rot. Bonds8

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

N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide (PubChem CID 44574139) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide
PubChem CID44574139
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CCCCc1cc(C(=O)NO)no1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N4O4S/c23-16(9-5-4-8-13-10-14(22-26-13)17(24)21-25)20-18-19-15(11-27-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,21,24)(H,19,20,23)
InChIKeyVETFNWHZDHZTFS-UHFFFAOYSA-N
XLogP3.27
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.27
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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Related Compounds

4-(3-Phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 2813816
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1164446
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649216
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7948233
N-(6-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002929
N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 126649211
N-{5-[(dimethylamino)carbonyl]-4-methyl-1,3-thiazol-2-yl}-5-methyl-3-phenylisoxazole-4-carboxamide
CID 1225690
2-[5-(5-Methyl-isoxazol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1842172
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2089563
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2114663
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2115176
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8839149

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide (CID 44574139) is N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide is O=C(CCCCc1cc(C(=O)NO)no1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VETFNWHZDHZTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-16(9-5-4-8-13-10-14(22-26-13)17(24)21-25)20-18-19-15(11-27-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,21,24)(H,19,20,23).
What are the key properties of N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44574139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).