1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

C7H9F3N4O2 — CID 103744177

IUPAC1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCc1ncno1)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-12-6(15)11-2-1-5-13-4-14-16-5/h4H,1-3H2,(H2,11,12,15)
InChIKeyIGRGUVQTVNKTAP-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.47
Rot. Bonds4

About 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103744177) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID103744177
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCc1ncno1)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-12-6(15)11-2-1-5-13-4-14-16-5/h4H,1-3H2,(H2,11,12,15)
InChIKeyIGRGUVQTVNKTAP-UHFFFAOYSA-N
XLogP0.47
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 103744185
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
1-[2-(1,2,4-Oxadiazol-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 106395820
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106397234
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397241
2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106399593
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
1,1,1-Trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399639

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 103744177) is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCCc1ncno1)NCC(F)(F)F.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IGRGUVQTVNKTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)3-12-6(15)11-2-1-5-13-4-14-16-5/h4H,1-3H2,(H2,11,12,15).
What are the key properties of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 238.17 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103744177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).