1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea

C8H14N4O2 — CID 103743947

IUPAC1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ncno1
InChIInChI=1S/C8H14N4O2/c1-6(2)12-8(13)9-4-3-7-10-5-11-14-7/h5-6H,3-4H2,1-2H3,(H2,9,12,13)
InChIKeyGCDOVKIUQVKXEI-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.32
Rot. Bonds4

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

1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea (PubChem CID 103743947) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea
PubChem CID103743947
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ncno1
InChIInChI=1S/C8H14N4O2/c1-6(2)12-8(13)9-4-3-7-10-5-11-14-7/h5-6H,3-4H2,1-2H3,(H2,9,12,13)
InChIKeyGCDOVKIUQVKXEI-UHFFFAOYSA-N
XLogP0.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.32
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
1-Cyclopropyl-1-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 132378217
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397241
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106399678
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106400151
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 107168098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea (CID 103743947) is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCc1ncno1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is GCDOVKIUQVKXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(2)12-8(13)9-4-3-7-10-5-11-14-7/h5-6H,3-4H2,1-2H3,(H2,9,12,13).
What are the key properties of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea?
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 198.23 g/mol, XLogP of 0.32, 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-propan-2-ylurea is sourced from PubChem (CID 103743947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).