4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide

C8H13N3O2 — CID 83618116

IUPAC4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide
SMILESCNCCCC(=O)Nc1cnco1
InChIInChI=1S/C8H13N3O2/c1-9-4-2-3-7(12)11-8-5-10-6-13-8/h5-6,9H,2-4H2,1H3,(H,11,12)
InChIKeyXPUVZUYXHFLGJC-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.61
Rot. Bonds5

About 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide

4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide (PubChem CID 83618116) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide
PubChem CID83618116
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide
SMILESCNCCCC(=O)Nc1cnco1
InChIInChI=1S/C8H13N3O2/c1-9-4-2-3-7(12)11-8-5-10-6-13-8/h5-6,9H,2-4H2,1H3,(H,11,12)
InChIKeyXPUVZUYXHFLGJC-UHFFFAOYSA-N
XLogP0.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.61
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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Related Compounds

3-(methylamino)-N-(1,3-oxazol-5-yl)propanamide
CID 83618145
N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60843296
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
CID 119884880
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide
CID 103811529
3-[4-[4-(methylamino)butanoylamino]phenyl]butanoic acid
CID 104503002
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide?
The IUPAC name of 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide (CID 83618116) is 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide is CNCCCC(=O)Nc1cnco1.
What is the InChIKey of 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide?
The InChIKey is XPUVZUYXHFLGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-4-2-3-7(12)11-8-5-10-6-13-8/h5-6,9H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide?
4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1,3-oxazol-5-yl)butanamide is sourced from PubChem (CID 83618116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).