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

C11H20N4O2 — CID 51107744

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
SMILESCc1cc(NC(=O)NCCN(C)C(C)C)no1
InChIInChI=1S/C11H20N4O2/c1-8(2)15(4)6-5-12-11(16)13-10-7-9(3)17-14-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyMGZAYQUEMBGLGJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.44
Rot. Bonds5

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

1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea (PubChem CID 51107744) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
PubChem CID51107744
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
SMILESCc1cc(NC(=O)NCCN(C)C(C)C)no1
InChIInChI=1S/C11H20N4O2/c1-8(2)15(4)6-5-12-11(16)13-10-7-9(3)17-14-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyMGZAYQUEMBGLGJ-UHFFFAOYSA-N
XLogP1.44
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101864
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746
1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108879137
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835
1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 112972181
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 51076414
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 32532589
3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370392

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea (CID 51107744) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea is Cc1cc(NC(=O)NCCN(C)C(C)C)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea?
The InChIKey is MGZAYQUEMBGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)15(4)6-5-12-11(16)13-10-7-9(3)17-14-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea has a molecular weight of 240.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea is sourced from PubChem (CID 51107744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).