2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide

C8H13N3O2 — CID 61220569

IUPAC2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide
SMILESCC(C)(NCc1cnoc1)C(N)=O
InChIInChI=1S/C8H13N3O2/c1-8(2,7(9)12)10-3-6-4-11-13-5-6/h4-5,10H,3H2,1-2H3,(H2,9,12)
InChIKeyCMABUPIVRLKULX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.03
Rot. Bonds4

About 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide

2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide (PubChem CID 61220569) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide
PubChem CID61220569
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide
SMILESCC(C)(NCc1cnoc1)C(N)=O
InChIInChI=1S/C8H13N3O2/c1-8(2,7(9)12)10-3-6-4-11-13-5-6/h4-5,10H,3H2,1-2H3,(H2,9,12)
InChIKeyCMABUPIVRLKULX-UHFFFAOYSA-N
XLogP0.03
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide?
The IUPAC name of 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide (CID 61220569) is 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide.
What is the SMILES notation for 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide?
The canonical SMILES for 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide is CC(C)(NCc1cnoc1)C(N)=O.
What is the InChIKey of 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide?
The InChIKey is CMABUPIVRLKULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,7(9)12)10-3-6-4-11-13-5-6/h4-5,10H,3H2,1-2H3,(H2,9,12).
What are the key properties of 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide?
2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 61220569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).