3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C12H20N4O3 — CID 110370392

IUPAC3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCN(CC)C(=O)NCCC(=O)Nc1cc(C)on1
InChIInChI=1S/C12H20N4O3/c1-4-16(5-2)12(18)13-7-6-11(17)14-10-8-9(3)19-15-10/h8H,4-7H2,1-3H3,(H,13,18)(H,14,15,17)
InChIKeyMXTXMSQTMBFYFT-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.36
Rot. Bonds6

About 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 110370392) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID110370392
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCN(CC)C(=O)NCCC(=O)Nc1cc(C)on1
InChIInChI=1S/C12H20N4O3/c1-4-16(5-2)12(18)13-7-6-11(17)14-10-8-9(3)19-15-10/h8H,4-7H2,1-3H3,(H,13,18)(H,14,15,17)
InChIKeyMXTXMSQTMBFYFT-UHFFFAOYSA-N
XLogP1.36
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3653296
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
3-acetamido-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614580
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
2-[ethylcarbamoyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3516799
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
CID 40717922
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47263973
3,5-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 17191729
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110343455
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461

Frequently Asked Questions

What is the IUPAC name of 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 110370392) is 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCN(CC)C(=O)NCCC(=O)Nc1cc(C)on1.
What is the InChIKey of 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is MXTXMSQTMBFYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-16(5-2)12(18)13-7-6-11(17)14-10-8-9(3)19-15-10/h8H,4-7H2,1-3H3,(H,13,18)(H,14,15,17).
What are the key properties of 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 268.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 110370392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).