3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C10H15N3O2 — CID 47172017

IUPAC3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC2CC2)no1
InChIInChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyQKUCRJSBLDVNFL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.29
Rot. Bonds3

About 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47172017) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47172017
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC2CC2)no1
InChIInChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyQKUCRJSBLDVNFL-UHFFFAOYSA-N
XLogP1.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 47172017) is 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NC2CC2)no1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is QKUCRJSBLDVNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14).
What are the key properties of 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 209.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47172017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).