2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide

C12H20N4O3 — CID 40717922

IUPAC2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C12H20N4O3/c1-4-5-13-11(17)7-16(3)8-12(18)14-10-6-9(2)19-15-10/h6H,4-5,7-8H2,1-3H3,(H,13,17)(H,14,15,18)
InChIKeyXCHCVDSMMRLPMW-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.38
Rot. Bonds7

About 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide

2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide (PubChem CID 40717922) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
PubChem CID40717922
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C12H20N4O3/c1-4-5-13-11(17)7-16(3)8-12(18)14-10-6-9(2)19-15-10/h6H,4-5,7-8H2,1-3H3,(H,13,17)(H,14,15,18)
InChIKeyXCHCVDSMMRLPMW-UHFFFAOYSA-N
XLogP0.38
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 146084098
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 51282323
2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135099990
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3653296
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 55470547
2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146139528

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide (CID 40717922) is 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide?
The InChIKey is XCHCVDSMMRLPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-5-13-11(17)7-16(3)8-12(18)14-10-6-9(2)19-15-10/h6H,4-5,7-8H2,1-3H3,(H,13,17)(H,14,15,18).
What are the key properties of 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide?
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide has a molecular weight of 268.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide is sourced from PubChem (CID 40717922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).