N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H12N6O2S — CID 121195997

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H12N6O2S/c23-16(13-8-14(24-20-13)15-2-1-7-25-15)18-9-11-10-22(21-19-11)12-3-5-17-6-4-12/h1-8,10H,9H2,(H,18,23)
InChIKeyLOFSODUEZOXESR-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.31
Rot. Bonds5

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 121195997) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID121195997
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H12N6O2S/c23-16(13-8-14(24-20-13)15-2-1-7-25-15)18-9-11-10-22(21-19-11)12-3-5-17-6-4-12/h1-8,10H,9H2,(H,18,23)
InChIKeyLOFSODUEZOXESR-UHFFFAOYSA-N
XLogP2.31
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 121195997) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCc1cn(-c2ccncc2)nn1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LOFSODUEZOXESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c23-16(13-8-14(24-20-13)15-2-1-7-25-15)18-9-11-10-22(21-19-11)12-3-5-17-6-4-12/h1-8,10H,9H2,(H,18,23).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121195997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).