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

C7H12N4O2 — CID 103744088

IUPAC1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCN(C)C(=O)NCCc1ncno1
InChIInChI=1S/C7H12N4O2/c1-11(2)7(12)8-4-3-6-9-5-10-13-6/h5H,3-4H2,1-2H3,(H,8,12)
InChIKeyPQSWYLYMUCXZIS-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.12
Rot. Bonds3

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

1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 103744088) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID103744088
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCN(C)C(=O)NCCc1ncno1
InChIInChI=1S/C7H12N4O2/c1-11(2)7(12)8-4-3-6-9-5-10-13-6/h5H,3-4H2,1-2H3,(H,8,12)
InChIKeyPQSWYLYMUCXZIS-UHFFFAOYSA-N
XLogP-0.12
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
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
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
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
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399702
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399946
3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106400034
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 107168098

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea (CID 103744088) is 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea is CN(C)C(=O)NCCc1ncno1.
What is the InChIKey of 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is PQSWYLYMUCXZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-11(2)7(12)8-4-3-6-9-5-10-13-6/h5H,3-4H2,1-2H3,(H,8,12).
What are the key properties of 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 184.20 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 103744088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).