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

C8H12N4O2 — CID 115578476

IUPAC1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)NC2CC2)n1
InChIInChI=1S/C8H12N4O2/c1-5-10-7(14-12-5)4-9-8(13)11-6-2-3-6/h6H,2-4H2,1H3,(H2,9,11,13)
InChIKeyUEMYPRMSCPLMCQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.34
Rot. Bonds3

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

1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 115578476) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID115578476
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)NC2CC2)n1
InChIInChI=1S/C8H12N4O2/c1-5-10-7(14-12-5)4-9-8(13)11-6-2-3-6/h6H,2-4H2,1H3,(H2,9,11,13)
InChIKeyUEMYPRMSCPLMCQ-UHFFFAOYSA-N
XLogP0.34
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 56823999
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677317
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
1-[(1-hydroxycyclohexyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 110936721
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701479
1-[(5R)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 97338167
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027204
1-(7,7-dimethyl-6-oxaspiro[3.4]octan-2-yl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 138022698

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 115578476) is 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1noc(CNC(=O)NC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is UEMYPRMSCPLMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-10-7(14-12-5)4-9-8(13)11-6-2-3-6/h6H,2-4H2,1H3,(H2,9,11,13).
What are the key properties of 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 196.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 115578476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).