2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide

C11H19N3O2 — CID 122149596

IUPAC2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCCc1nocc1CN(CC(N)=O)C(C)C
InChIInChI=1S/C11H19N3O2/c1-4-10-9(7-16-13-10)5-14(8(2)3)6-11(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)
InChIKeyASLNXZAKFAPRHI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.93
Rot. Bonds6

About 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide

2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide (PubChem CID 122149596) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide
PubChem CID122149596
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCCc1nocc1CN(CC(N)=O)C(C)C
InChIInChI=1S/C11H19N3O2/c1-4-10-9(7-16-13-10)5-14(8(2)3)6-11(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)
InChIKeyASLNXZAKFAPRHI-UHFFFAOYSA-N
XLogP0.93
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide (CID 122149596) is 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide is CCc1nocc1CN(CC(N)=O)C(C)C.
What is the InChIKey of 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide?
The InChIKey is ASLNXZAKFAPRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-10-9(7-16-13-10)5-14(8(2)3)6-11(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15).
What are the key properties of 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide?
2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 122149596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).