ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C16H18N4O2S — CID 144922079

IUPACethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC.O=C(NCCc1nncs1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H12N4O2S.C2H6/c19-14(15-7-6-13-17-16-9-21-13)11-8-12(20-18-11)10-4-2-1-3-5-10;1-2/h1-5,8-9H,6-7H2,(H,15,19);1-2H3
InChIKeyAJFDCMDJYSBUDX-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.19
Rot. Bonds5

About ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 144922079) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Nameethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID144922079
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Nameethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC.O=C(NCCc1nncs1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H12N4O2S.C2H6/c19-14(15-7-6-13-17-16-9-21-13)11-8-12(20-18-11)10-4-2-1-3-5-10;1-2/h1-5,8-9H,6-7H2,(H,15,19);1-2H3
InChIKeyAJFDCMDJYSBUDX-UHFFFAOYSA-N
XLogP3.19
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 144922079) is ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is CC.O=C(NCCc1nncs1)c1cc(-c2ccccc2)on1.
What is the InChIKey of ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AJFDCMDJYSBUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S.C2H6/c19-14(15-7-6-13-17-16-9-21-13)11-8-12(20-18-11)10-4-2-1-3-5-10;1-2/h1-5,8-9H,6-7H2,(H,15,19);1-2H3.
What are the key properties of ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 144922079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).