1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea

C6H10N4O2 — CID 116658012

IUPAC1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
SMILESCc1noc(NC(=O)N(C)C)n1
InChIInChI=1S/C6H10N4O2/c1-4-7-5(12-9-4)8-6(11)10(2)3/h1-3H3,(H,7,8,9,11)
InChIKeyHKUGUIDOIBMEEJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.47
Rot. Bonds1

About 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea

1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea (PubChem CID 116658012) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
PubChem CID116658012
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
SMILESCc1noc(NC(=O)N(C)C)n1
InChIInChI=1S/C6H10N4O2/c1-4-7-5(12-9-4)8-6(11)10(2)3/h1-3H3,(H,7,8,9,11)
InChIKeyHKUGUIDOIBMEEJ-UHFFFAOYSA-N
XLogP0.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)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

3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 130167629
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 104938878
3,6-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]benzoic acid
CID 103429396
N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
CID 103618054
(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
CID 104874178
2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115696967
1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
CID 128620218
N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide
CID 47045402
4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103872563
methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
CID 106659578
2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103520316
7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 167815573

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea (CID 116658012) is 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea is Cc1noc(NC(=O)N(C)C)n1.
What is the InChIKey of 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea?
The InChIKey is HKUGUIDOIBMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4-7-5(12-9-4)8-6(11)10(2)3/h1-3H3,(H,7,8,9,11).
What are the key properties of 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea?
1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea has a molecular weight of 170.17 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea is sourced from PubChem (CID 116658012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).