N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide

C14H13F3N2O4S — CID 58657065

IUPACN-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C14H13F3N2O4S/c15-14(16,17)11-7-8(18-22-11)9-4-5-10(24-9)13(20)19-23-12-3-1-2-6-21-12/h4-5,7,12H,1-3,6H2,(H,19,20)
InChIKeyGKHZSTCAFWSCAN-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.61
Rot. Bonds4

About N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide

N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide (PubChem CID 58657065) has the molecular formula C14H13F3N2O4S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide
PubChem CID58657065
Molecular FormulaC14H13F3N2O4S
Molecular Weight362.33 g/mol
Exact Mass362.05
IUPAC NameN-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C14H13F3N2O4S/c15-14(16,17)11-7-8(18-22-11)9-4-5-10(24-9)13(20)19-23-12-3-1-2-6-21-12/h4-5,7,12H,1-3,6H2,(H,19,20)
InChIKeyGKHZSTCAFWSCAN-UHFFFAOYSA-N
XLogP3.61
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide (CID 58657065) is N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide is O=C(NOC1CCCCO1)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide?
The InChIKey is GKHZSTCAFWSCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S/c15-14(16,17)11-7-8(18-22-11)9-4-5-10(24-9)13(20)19-23-12-3-1-2-6-21-12/h4-5,7,12H,1-3,6H2,(H,19,20).
What are the key properties of N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide?
N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide has a molecular weight of 362.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58657065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).