1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C11H15N3O2 — CID 108915468

IUPAC1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESC/C(=C\NC(=O)Nc1cc(C)on1)C1CC1
InChIInChI=1S/C11H15N3O2/c1-7(9-3-4-9)6-12-11(15)13-10-5-8(2)16-14-10/h5-6,9H,3-4H2,1-2H3,(H2,12,13,14,15)/b7-6+
InChIKeyCJFKOKWUCHOQLO-VOTSOKGWSA-N
MW221.26 g/mol
LogP2.42
Rot. Bonds3

About 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108915468) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108915468
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESC/C(=C\NC(=O)Nc1cc(C)on1)C1CC1
InChIInChI=1S/C11H15N3O2/c1-7(9-3-4-9)6-12-11(15)13-10-5-8(2)16-14-10/h5-6,9H,3-4H2,1-2H3,(H2,12,13,14,15)/b7-6+
InChIKeyCJFKOKWUCHOQLO-VOTSOKGWSA-N
XLogP2.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea
CID 108909931
1-(cyclopentylidenemethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108913603
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712
1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18144085
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24657976
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108915468) is 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is C/C(=C\NC(=O)Nc1cc(C)on1)C1CC1.
What is the InChIKey of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is CJFKOKWUCHOQLO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(9-3-4-9)6-12-11(15)13-10-5-8(2)16-14-10/h5-6,9H,3-4H2,1-2H3,(H2,12,13,14,15)/b7-6+.
What are the key properties of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 221.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108915468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).