1-(1,2-oxazol-5-yl)-3-prop-2-enylurea

C7H9N3O2 — CID 108814101

IUPAC1-(1,2-oxazol-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccno1
InChIInChI=1S/C7H9N3O2/c1-2-4-8-7(11)10-6-3-5-9-12-6/h2-3,5H,1,4H2,(H2,8,10,11)
InChIKeyZMIYGISHTWHCIM-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.98
Rot. Bonds3

About 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea

1-(1,2-oxazol-5-yl)-3-prop-2-enylurea (PubChem CID 108814101) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-3-prop-2-enylurea
PubChem CID108814101
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-(1,2-oxazol-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccno1
InChIInChI=1S/C7H9N3O2/c1-2-4-8-7(11)10-6-3-5-9-12-6/h2-3,5H,1,4H2,(H2,8,10,11)
InChIKeyZMIYGISHTWHCIM-UHFFFAOYSA-N
XLogP0.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea
CID 108814230
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
CID 108887387
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
1-(2,5-dibromophenyl)-3-prop-2-enylurea
CID 47033525
1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea
CID 3866775
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769
1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea
CID 95624373

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea (CID 108814101) is 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccno1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea?
The InChIKey is ZMIYGISHTWHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-4-8-7(11)10-6-3-5-9-12-6/h2-3,5H,1,4H2,(H2,8,10,11).
What are the key properties of 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea?
1-(1,2-oxazol-5-yl)-3-prop-2-enylurea has a molecular weight of 167.17 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)-3-prop-2-enylurea is sourced from PubChem (CID 108814101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).