1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea

C15H17N5O2S — CID 118763789

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea
SMILESCc1ccc2nsnc2c1NC(=O)N(C)Cc1c(C)noc1C
InChIInChI=1S/C15H17N5O2S/c1-8-5-6-12-14(19-23-18-12)13(8)16-15(21)20(4)7-11-9(2)17-22-10(11)3/h5-6H,7H2,1-4H3,(H,16,21)
InChIKeySTTYOLRPMCYPRF-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.27
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea (PubChem CID 118763789) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea
PubChem CID118763789
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea
SMILESCc1ccc2nsnc2c1NC(=O)N(C)Cc1c(C)noc1C
InChIInChI=1S/C15H17N5O2S/c1-8-5-6-12-14(19-23-18-12)13(8)16-15(21)20(4)7-11-9(2)17-22-10(11)3/h5-6H,7H2,1-4H3,(H,16,21)
InChIKeySTTYOLRPMCYPRF-UHFFFAOYSA-N
XLogP3.27
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-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-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742389
3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 99696852
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea
CID 56825839
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 86987980
1-[(4-bromophenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea
CID 52887462
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70779613
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
CID 118764961
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95135788
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea (CID 118763789) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea is Cc1ccc2nsnc2c1NC(=O)N(C)Cc1c(C)noc1C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea?
The InChIKey is STTYOLRPMCYPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-8-5-6-12-14(19-23-18-12)13(8)16-15(21)20(4)7-11-9(2)17-22-10(11)3/h5-6H,7H2,1-4H3,(H,16,21).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea has a molecular weight of 331.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea is sourced from PubChem (CID 118763789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).