2-(1,2-oxazol-5-ylmethylamino)butanamide

C8H13N3O2 — CID 106417605

IUPAC2-(1,2-oxazol-5-ylmethylamino)butanamide
SMILESCCC(NCc1ccno1)C(N)=O
InChIInChI=1S/C8H13N3O2/c1-2-7(8(9)12)10-5-6-3-4-11-13-6/h3-4,7,10H,2,5H2,1H3,(H2,9,12)
InChIKeyPPZSWYCVVKUCRJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.03
Rot. Bonds5

About 2-(1,2-oxazol-5-ylmethylamino)butanamide

2-(1,2-oxazol-5-ylmethylamino)butanamide (PubChem CID 106417605) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)butanamide.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)butanamide
PubChem CID106417605
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)butanamide
SMILESCCC(NCc1ccno1)C(N)=O
InChIInChI=1S/C8H13N3O2/c1-2-7(8(9)12)10-5-6-3-4-11-13-6/h3-4,7,10H,2,5H2,1H3,(H2,9,12)
InChIKeyPPZSWYCVVKUCRJ-UHFFFAOYSA-N
XLogP0.03
TPSA81.15 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 ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate
CID 114186508
2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 79503018
(2S)-2-(benzylamino)butanamide
CID 131998527
2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 103605544
2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide
CID 107230915
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371196
3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide
CID 106417909
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
3-amino-N-(1,2-oxazol-5-ylmethyl)hexanamide
CID 106417077
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371987
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 114186807
2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 106417708

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)butanamide?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)butanamide (CID 106417605) is 2-(1,2-oxazol-5-ylmethylamino)butanamide.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)butanamide?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)butanamide is CCC(NCc1ccno1)C(N)=O.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)butanamide?
The InChIKey is PPZSWYCVVKUCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-7(8(9)12)10-5-6-3-4-11-13-6/h3-4,7,10H,2,5H2,1H3,(H2,9,12).
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)butanamide?
2-(1,2-oxazol-5-ylmethylamino)butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylamino)butanamide is sourced from PubChem (CID 106417605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).