N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide

C10H16N2O3 — CID 71836731

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCc1c(C)noc1C
InChIInChI=1S/C10H16N2O3/c1-7-9(8(2)15-12-7)6-11-10(13)4-5-14-3/h4-6H2,1-3H3,(H,11,13)
InChIKeyBRGIMGDMCIRNGT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.94
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide (PubChem CID 71836731) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide
PubChem CID71836731
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCc1c(C)noc1C
InChIInChI=1S/C10H16N2O3/c1-7-9(8(2)15-12-7)6-11-10(13)4-5-14-3/h4-6H2,1-3H3,(H,11,13)
InChIKeyBRGIMGDMCIRNGT-UHFFFAOYSA-N
XLogP0.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide (CID 71836731) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide is COCCC(=O)NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide?
The InChIKey is BRGIMGDMCIRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-9(8(2)15-12-7)6-11-10(13)4-5-14-3/h4-6H2,1-3H3,(H,11,13).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide has a molecular weight of 212.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 71836731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).