3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea

C9H14N4O2 — CID 166242077

IUPAC3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CN(C)C(=O)NC2CC2)o1
InChIInChI=1S/C9H14N4O2/c1-6-11-12-8(15-6)5-13(2)9(14)10-7-3-4-7/h7H,3-5H2,1-2H3,(H,10,14)
InChIKeyBRVDFWYQJJOPTN-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.68
Rot. Bonds3

About 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea

3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 166242077) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID166242077
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CN(C)C(=O)NC2CC2)o1
InChIInChI=1S/C9H14N4O2/c1-6-11-12-8(15-6)5-13(2)9(14)10-7-3-4-7/h7H,3-5H2,1-2H3,(H,10,14)
InChIKeyBRVDFWYQJJOPTN-UHFFFAOYSA-N
XLogP0.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopentyl-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]butanamide
CID 124758228
3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 122571786
3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 72863703
methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 80709119
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065
3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 122562278
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226
3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea
CID 125448064
4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 166210314
3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 47127701
1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 62637074

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 166242077) is 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is Cc1nnc(CN(C)C(=O)NC2CC2)o1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is BRVDFWYQJJOPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-11-12-8(15-6)5-13(2)9(14)10-7-3-4-7/h7H,3-5H2,1-2H3,(H,10,14).
What are the key properties of 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 210.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 166242077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).