5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide

C14H9N3O4S — CID 2739171

IUPAC5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C14H9N3O4S/c18-14(10-5-13(17(19)20)22-7-10)16-11-3-1-9(2-4-11)12-6-15-8-21-12/h1-8H,(H,16,18)
InChIKeyVBWLNQTUSMLDOB-UHFFFAOYSA-N
MW315.31 g/mol
LogP3.56
Rot. Bonds4

About 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide

5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide (PubChem CID 2739171) has the molecular formula C14H9N3O4S and a molecular weight of 315.31 g/mol. Its IUPAC name is 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide
PubChem CID2739171
Molecular FormulaC14H9N3O4S
Molecular Weight315.31 g/mol
Exact Mass315.03
IUPAC Name5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C14H9N3O4S/c18-14(10-5-13(17(19)20)22-7-10)16-11-3-1-9(2-4-11)12-6-15-8-21-12/h1-8H,(H,16,18)
InChIKeyVBWLNQTUSMLDOB-UHFFFAOYSA-N
XLogP3.56
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide (CID 2739171) is 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccc(-c2cnco2)cc1)c1csc([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is VBWLNQTUSMLDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4S/c18-14(10-5-13(17(19)20)22-7-10)16-11-3-1-9(2-4-11)12-6-15-8-21-12/h1-8H,(H,16,18).
What are the key properties of 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide?
5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 315.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 2739171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).