3-(1,2-oxazol-4-ylmethylamino)propanamide

C7H11N3O2 — CID 60869054

IUPAC3-(1,2-oxazol-4-ylmethylamino)propanamide
SMILESNC(=O)CCNCc1cnoc1
InChIInChI=1S/C7H11N3O2/c8-7(11)1-2-9-3-6-4-10-12-5-6/h4-5,9H,1-3H2,(H2,8,11)
InChIKeyYXMIUIGORCSUPA-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.36
Rot. Bonds5

About 3-(1,2-oxazol-4-ylmethylamino)propanamide

3-(1,2-oxazol-4-ylmethylamino)propanamide (PubChem CID 60869054) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(1,2-oxazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-(1,2-oxazol-4-ylmethylamino)propanamide
PubChem CID60869054
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(1,2-oxazol-4-ylmethylamino)propanamide
SMILESNC(=O)CCNCc1cnoc1
InChIInChI=1S/C7H11N3O2/c8-7(11)1-2-9-3-6-4-10-12-5-6/h4-5,9H,1-3H2,(H2,8,11)
InChIKeyYXMIUIGORCSUPA-UHFFFAOYSA-N
XLogP-0.36
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-4-ylmethylamino)propanamide?
The IUPAC name of 3-(1,2-oxazol-4-ylmethylamino)propanamide (CID 60869054) is 3-(1,2-oxazol-4-ylmethylamino)propanamide.
What is the SMILES notation for 3-(1,2-oxazol-4-ylmethylamino)propanamide?
The canonical SMILES for 3-(1,2-oxazol-4-ylmethylamino)propanamide is NC(=O)CCNCc1cnoc1.
What is the InChIKey of 3-(1,2-oxazol-4-ylmethylamino)propanamide?
The InChIKey is YXMIUIGORCSUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-7(11)1-2-9-3-6-4-10-12-5-6/h4-5,9H,1-3H2,(H2,8,11).
What are the key properties of 3-(1,2-oxazol-4-ylmethylamino)propanamide?
3-(1,2-oxazol-4-ylmethylamino)propanamide has a molecular weight of 169.18 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 60869054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).