[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid

C7H5N3O4S — CID 18445943

IUPAC[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid
SMILESO=C(O)Nc1ccsc1-c1n[nH]c(=O)o1
InChIInChI=1S/C7H5N3O4S/c11-6(12)8-3-1-2-15-4(3)5-9-10-7(13)14-5/h1-2,8H,(H,10,13)(H,11,12)
InChIKeyHESZHZSSLBVBEJ-UHFFFAOYSA-N
MW227.20 g/mol
LogP1.18
Rot. Bonds2

About [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid

[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid (PubChem CID 18445943) has the molecular formula C7H5N3O4S and a molecular weight of 227.20 g/mol. Its IUPAC name is [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid
PubChem CID18445943
Molecular FormulaC7H5N3O4S
Molecular Weight227.20 g/mol
Exact Mass227.00
IUPAC Name[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid
SMILESO=C(O)Nc1ccsc1-c1n[nH]c(=O)o1
InChIInChI=1S/C7H5N3O4S/c11-6(12)8-3-1-2-15-4(3)5-9-10-7(13)14-5/h1-2,8H,(H,10,13)(H,11,12)
InChIKeyHESZHZSSLBVBEJ-UHFFFAOYSA-N
XLogP1.18
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid?
The IUPAC name of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid (CID 18445943) is [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid.
What is the SMILES notation for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid?
The canonical SMILES for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid is O=C(O)Nc1ccsc1-c1n[nH]c(=O)o1.
What is the InChIKey of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid?
The InChIKey is HESZHZSSLBVBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O4S/c11-6(12)8-3-1-2-15-4(3)5-9-10-7(13)14-5/h1-2,8H,(H,10,13)(H,11,12).
What are the key properties of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid?
[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid has a molecular weight of 227.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid is sourced from PubChem (CID 18445943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).