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

C12H19N3O2 — CID 38236095

IUPAC3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC2CCCC2)no1
InChIInChI=1S/C12H19N3O2/c1-9-7-11(14-17-9)8-15(2)12(16)13-10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyZBBRDCSISNQCCC-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.07
Rot. Bonds3

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

3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 38236095) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID38236095
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC2CCCC2)no1
InChIInChI=1S/C12H19N3O2/c1-9-7-11(14-17-9)8-15(2)12(16)13-10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyZBBRDCSISNQCCC-UHFFFAOYSA-N
XLogP2.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 38236095) is 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NC2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is ZBBRDCSISNQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-11(14-17-9)8-15(2)12(16)13-10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,13,16).
What are the key properties of 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 237.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 38236095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).