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

C7H11N3O2 — CID 53017221

IUPAC1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCNC(=O)NCc1cc(C)no1
InChIInChI=1S/C7H11N3O2/c1-5-3-6(12-10-5)4-9-7(11)8-2/h3H,4H2,1-2H3,(H2,8,9,11)
InChIKeyUGKQABQSTHRKBE-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.41
Rot. Bonds2

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

1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 53017221) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
PubChem CID53017221
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCNC(=O)NCc1cc(C)no1
InChIInChI=1S/C7H11N3O2/c1-5-3-6(12-10-5)4-9-7(11)8-2/h3H,4H2,1-2H3,(H2,8,9,11)
InChIKeyUGKQABQSTHRKBE-UHFFFAOYSA-N
XLogP0.41
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[(3-methyl-1,2-oxazol-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-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 130969421
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
2-hydroxyethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 79348723
2,2,3-trimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 65263958
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 71881577
3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 81069651
3-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-ynamide
CID 130901679
4-[[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440478
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (CID 53017221) is 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is CNC(=O)NCc1cc(C)no1.
What is the InChIKey of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is UGKQABQSTHRKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-3-6(12-10-5)4-9-7(11)8-2/h3H,4H2,1-2H3,(H2,8,9,11).
What are the key properties of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 169.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 53017221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).