2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid

C9H9N3O3S — CID 69189947

IUPAC2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1cc(-c2cncs2)no1
InChIInChI=1S/C9H9N3O3S/c13-9(14)11-2-1-6-3-7(12-15-6)8-4-10-5-16-8/h3-5,11H,1-2H2,(H,13,14)
InChIKeyFERGVCCLKLAMPK-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.61
Rot. Bonds4

About 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid

2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid (PubChem CID 69189947) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid
PubChem CID69189947
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1cc(-c2cncs2)no1
InChIInChI=1S/C9H9N3O3S/c13-9(14)11-2-1-6-3-7(12-15-6)8-4-10-5-16-8/h3-5,11H,1-2H2,(H,13,14)
InChIKeyFERGVCCLKLAMPK-UHFFFAOYSA-N
XLogP1.61
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid?
The IUPAC name of 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid (CID 69189947) is 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid?
The canonical SMILES for 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid is O=C(O)NCCc1cc(-c2cncs2)no1.
What is the InChIKey of 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid?
The InChIKey is FERGVCCLKLAMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c13-9(14)11-2-1-6-3-7(12-15-6)8-4-10-5-16-8/h3-5,11H,1-2H2,(H,13,14).
What are the key properties of 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid?
2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid has a molecular weight of 239.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid is sourced from PubChem (CID 69189947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).