N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

C14H11N3O2S — CID 1250645

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cccs1
InChIInChI=1S/C14H11N3O2S/c18-14(11-7-4-8-20-11)15-9-12-16-13(17-19-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)
InChIKeyPPJTWHARWSRTBQ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.73
Rot. Bonds4

About N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 1250645) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID1250645
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cccs1
InChIInChI=1S/C14H11N3O2S/c18-14(11-7-4-8-20-11)15-9-12-16-13(17-19-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)
InChIKeyPPJTWHARWSRTBQ-UHFFFAOYSA-N
XLogP2.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide (CID 1250645) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)c1cccs1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is PPJTWHARWSRTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-14(11-7-4-8-20-11)15-9-12-16-13(17-19-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18).
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1250645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).