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

C12H15N3O2S — CID 110368421

IUPACN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(C)c1nnc(CCNC(=O)c2cccs2)o1
InChIInChI=1S/C12H15N3O2S/c1-8(2)12-15-14-10(17-12)5-6-13-11(16)9-4-3-7-18-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeyJOWPVTMNNYHNPJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.23
Rot. Bonds5

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

N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 110368421) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID110368421
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(C)c1nnc(CCNC(=O)c2cccs2)o1
InChIInChI=1S/C12H15N3O2S/c1-8(2)12-15-14-10(17-12)5-6-13-11(16)9-4-3-7-18-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeyJOWPVTMNNYHNPJ-UHFFFAOYSA-N
XLogP2.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 110321054
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110368479
N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110320653
3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110368440
2-(4-fluorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110368446
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118367784
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 91817323
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide (CID 110368421) is N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide is CC(C)c1nnc(CCNC(=O)c2cccs2)o1.
What is the InChIKey of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JOWPVTMNNYHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(2)12-15-14-10(17-12)5-6-13-11(16)9-4-3-7-18-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide?
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 110368421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).