2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide

C13H19N5O2 — CID 91840008

IUPAC2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCc1cc(CN(C)CC(=O)Nc2ccn(C)n2)on1
InChIInChI=1S/C13H19N5O2/c1-4-10-7-11(20-16-10)8-17(2)9-13(19)14-12-5-6-18(3)15-12/h5-7H,4,8-9H2,1-3H3,(H,14,15,19)
InChIKeyVVMAKIFUDOSHJY-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.04
Rot. Bonds6

About 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide

2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91840008) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91840008
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCc1cc(CN(C)CC(=O)Nc2ccn(C)n2)on1
InChIInChI=1S/C13H19N5O2/c1-4-10-7-11(20-16-10)8-17(2)9-13(19)14-12-5-6-18(3)15-12/h5-7H,4,8-9H2,1-3H3,(H,14,15,19)
InChIKeyVVMAKIFUDOSHJY-UHFFFAOYSA-N
XLogP1.04
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide (CID 91840008) is 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide is CCc1cc(CN(C)CC(=O)Nc2ccn(C)n2)on1.
What is the InChIKey of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is VVMAKIFUDOSHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-10-7-11(20-16-10)8-17(2)9-13(19)14-12-5-6-18(3)15-12/h5-7H,4,8-9H2,1-3H3,(H,14,15,19).
What are the key properties of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 277.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91840008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).