1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea

C11H19N3O2 — CID 71972681

IUPAC1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1c(CC)noc1CC
InChIInChI=1S/C11H19N3O2/c1-4-9-8(10(5-2)16-14-9)7-13-11(15)12-6-3/h4-7H2,1-3H3,(H2,12,13,15)
InChIKeyMWJZPZZHGOQFTP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds5

About 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea

1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea (PubChem CID 71972681) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea
PubChem CID71972681
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1c(CC)noc1CC
InChIInChI=1S/C11H19N3O2/c1-4-9-8(10(5-2)16-14-9)7-13-11(15)12-6-3/h4-7H2,1-3H3,(H2,12,13,15)
InChIKeyMWJZPZZHGOQFTP-UHFFFAOYSA-N
XLogP1.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea?
The IUPAC name of 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea (CID 71972681) is 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea is CCNC(=O)NCc1c(CC)noc1CC.
What is the InChIKey of 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea?
The InChIKey is MWJZPZZHGOQFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9-8(10(5-2)16-14-9)7-13-11(15)12-6-3/h4-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea?
1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea has a molecular weight of 225.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea is sourced from PubChem (CID 71972681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).