3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea

C10H17N3O2 — CID 115604567

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCc1c(C)noc1C
InChIInChI=1S/C10H17N3O2/c1-5-13(4)10(14)11-6-9-7(2)12-15-8(9)3/h5-6H2,1-4H3,(H,11,14)
InChIKeySWYYZILZVFVHCD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.45
Rot. Bonds3

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea (PubChem CID 115604567) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
PubChem CID115604567
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCc1c(C)noc1C
InChIInChI=1S/C10H17N3O2/c1-5-13(4)10(14)11-6-9-7(2)12-15-8(9)3/h5-6H2,1-4H3,(H,11,14)
InChIKeySWYYZILZVFVHCD-UHFFFAOYSA-N
XLogP1.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea (CID 115604567) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NCc1c(C)noc1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea?
The InChIKey is SWYYZILZVFVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-13(4)10(14)11-6-9-7(2)12-15-8(9)3/h5-6H2,1-4H3,(H,11,14).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea has a molecular weight of 211.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 115604567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).