1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea

C8H11N3O2 — CID 130684719

IUPAC1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)Nc1ccon1
InChIInChI=1S/C8H11N3O2/c1-3-5-11(2)8(12)9-7-4-6-13-10-7/h3-4,6H,1,5H2,2H3,(H,9,10,12)
InChIKeyDBXHVIXVCMXOQE-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.32
Rot. Bonds3

About 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea

1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea (PubChem CID 130684719) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea
PubChem CID130684719
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)Nc1ccon1
InChIInChI=1S/C8H11N3O2/c1-3-5-11(2)8(12)9-7-4-6-13-10-7/h3-4,6H,1,5H2,2H3,(H,9,10,12)
InChIKeyDBXHVIXVCMXOQE-UHFFFAOYSA-N
XLogP1.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1,2-oxazol-3-yl)-1,1-dipropylurea
CID 108811952
1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 167858306
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 3332397
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
CID 813689
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
CID 112617179
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 42769078
1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
CID 131176329
2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3704989
2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209518
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
CID 100625980

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea?
The IUPAC name of 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea (CID 130684719) is 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea.
What is the SMILES notation for 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea?
The canonical SMILES for 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea is C=CCN(C)C(=O)Nc1ccon1.
What is the InChIKey of 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea?
The InChIKey is DBXHVIXVCMXOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-5-11(2)8(12)9-7-4-6-13-10-7/h3-4,6H,1,5H2,2H3,(H,9,10,12).
What are the key properties of 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea?
1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea has a molecular weight of 181.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea is sourced from PubChem (CID 130684719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).