N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C15H10FN3O3S — CID 137030919

IUPACN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N/N=C\c1ccc(F)s1)c1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C15H10FN3O3S/c16-14-6-5-11(23-14)8-17-18-15(21)12-7-13(22-19-12)9-1-3-10(20)4-2-9/h1-8,20H,(H,18,21)/b17-8-
InChIKeyPBPXCOVAXCOYIL-IUXPMGMMSA-N
MW331.33 g/mol
LogP3.01
Rot. Bonds4

About N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 137030919) has the molecular formula C15H10FN3O3S and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID137030919
Molecular FormulaC15H10FN3O3S
Molecular Weight331.33 g/mol
Exact Mass331.04
IUPAC NameN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N/N=C\c1ccc(F)s1)c1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C15H10FN3O3S/c16-14-6-5-11(23-14)8-17-18-15(21)12-7-13(22-19-12)9-1-3-10(20)4-2-9/h1-8,20H,(H,18,21)/b17-8-
InChIKeyPBPXCOVAXCOYIL-IUXPMGMMSA-N
XLogP3.01
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluorothiophen-2-yl)methylideneamino]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 171130740
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
N-[(5-fluorothiophen-2-yl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 171130813
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
CID 119055652
4-[(4-chloropyrazol-1-yl)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 171130855
4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 124849210
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119055721
4-bromo-1-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide
CID 119055756
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129432016
N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
CID 171130709
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 137030919) is N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(N/N=C\c1ccc(F)s1)c1cc(-c2ccc(O)cc2)on1.
What is the InChIKey of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PBPXCOVAXCOYIL-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H10FN3O3S/c16-14-6-5-11(23-14)8-17-18-15(21)12-7-13(22-19-12)9-1-3-10(20)4-2-9/h1-8,20H,(H,18,21)/b17-8-.
What are the key properties of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 137030919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).