1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea

C7H11N3O2 — CID 69171433

IUPAC1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea
SMILESCCN(C(=O)NC)c1ccno1
InChIInChI=1S/C7H11N3O2/c1-3-10(7(11)8-2)6-4-5-9-12-6/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyCUANLPVWNKBWPS-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.84
Rot. Bonds2

About 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea

1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea (PubChem CID 69171433) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea
PubChem CID69171433
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea
SMILESCCN(C(=O)NC)c1ccno1
InChIInChI=1S/C7H11N3O2/c1-3-10(7(11)8-2)6-4-5-9-12-6/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyCUANLPVWNKBWPS-UHFFFAOYSA-N
XLogP0.84
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 2744688
1-[(2E,4E,6E)-7-fluoro-4-[(5Z)-4-methyl-2-oxo-3,4,9,10-tetrahydro-1,3,5,7-tetrazecin-1-yl]octa-2,4,6-trien-2-yl]-3-(1,2-oxazol-5-yl)urea
CID 143646512
1,2-Oxazol-5-ylurea
CID 20534843
1-Ethyl-3-(1,2-oxazol-5-yl)urea
CID 21431583
1-Methyl-3-(1,2-oxazol-5-yl)urea
CID 21431588
N-(1,2-oxazol-5-yl)formamide
CID 21893495
N-methyl-1,2-oxazol-5-amine
CID 22645860
N-(1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 24865982
N-(1,2-oxazol-5-yl)acetamide
CID 54012742
2-methyl-N-(1,2-oxazol-5-yl)propanamide
CID 57886986
N-ethyl-N-(1,2-oxazol-5-yl)acetamide
CID 69170512
N-prop-2-enyl-1,2-oxazol-5-amine
CID 69778308

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea (CID 69171433) is 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea is CCN(C(=O)NC)c1ccno1.
What is the InChIKey of 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea?
The InChIKey is CUANLPVWNKBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-10(7(11)8-2)6-4-5-9-12-6/h4-5H,3H2,1-2H3,(H,8,11).
What are the key properties of 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea?
1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea has a molecular weight of 169.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 69171433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).