N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H13N3O3S — CID 25164318

IUPACN-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCOc1ccccn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H13N3O3S/c19-15(17-7-8-20-14-5-1-2-6-16-14)11-10-12(21-18-11)13-4-3-9-22-13/h1-6,9-10H,7-8H2,(H,17,19)
InChIKeyRMDOKQHJCUCMQW-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.61
Rot. Bonds6

About N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 25164318) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID25164318
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCOc1ccccn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H13N3O3S/c19-15(17-7-8-20-14-5-1-2-6-16-14)11-10-12(21-18-11)13-4-3-9-22-13/h1-6,9-10H,7-8H2,(H,17,19)
InChIKeyRMDOKQHJCUCMQW-UHFFFAOYSA-N
XLogP2.61
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 25164318) is N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCOc1ccccn1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is RMDOKQHJCUCMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-15(17-7-8-20-14-5-1-2-6-16-14)11-10-12(21-18-11)13-4-3-9-22-13/h1-6,9-10H,7-8H2,(H,17,19).
What are the key properties of N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25164318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).