ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate

C10H16N4O4 — CID 108812202

IUPACethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)Nc1cc(C)on1
InChIInChI=1S/C10H16N4O4/c1-3-17-10(16)12-5-4-11-9(15)13-8-6-7(2)18-14-8/h6H,3-5H2,1-2H3,(H,12,16)(H2,11,13,14,15)
InChIKeyGSYQBTZOJZFIJF-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.85
Rot. Bonds5

About ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate

ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate (PubChem CID 108812202) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
PubChem CID108812202
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Nameethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)Nc1cc(C)on1
InChIInChI=1S/C10H16N4O4/c1-3-17-10(16)12-5-4-11-9(15)13-8-6-7(2)18-14-8/h6H,3-5H2,1-2H3,(H,12,16)(H2,11,13,14,15)
InChIKeyGSYQBTZOJZFIJF-UHFFFAOYSA-N
XLogP0.85
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 51107744
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-(3,4,5-triethoxyphenyl)urea
CID 108869783
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate
CID 112990393
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-(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
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate (CID 108812202) is ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate is CCOC(=O)NCCNC(=O)Nc1cc(C)on1.
What is the InChIKey of ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate?
The InChIKey is GSYQBTZOJZFIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-3-17-10(16)12-5-4-11-9(15)13-8-6-7(2)18-14-8/h6H,3-5H2,1-2H3,(H,12,16)(H2,11,13,14,15).
What are the key properties of ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate?
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate has a molecular weight of 256.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate is sourced from PubChem (CID 108812202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).