3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide

C7H12N4O2 — CID 106396857

IUPAC3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESCC(N)CC(=O)NCc1ncon1
InChIInChI=1S/C7H12N4O2/c1-5(8)2-7(12)9-3-6-10-4-13-11-6/h4-5H,2-3,8H2,1H3,(H,9,12)
InChIKeyUDWIQIIKHSCKKM-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.58
Rot. Bonds4

About 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide

3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (PubChem CID 106396857) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
PubChem CID106396857
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESCC(N)CC(=O)NCc1ncon1
InChIInChI=1S/C7H12N4O2/c1-5(8)2-7(12)9-3-6-10-4-13-11-6/h4-5H,2-3,8H2,1H3,(H,9,12)
InChIKeyUDWIQIIKHSCKKM-UHFFFAOYSA-N
XLogP-0.58
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491
2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106409894
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
2-chloro-N-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)propanamide
CID 106405226
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
[3-(1,2,4-oxadiazol-3-ylmethylamino)-3-oxopropyl] 2-methylprop-2-enoate
CID 178076792
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 106403252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The IUPAC name of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (CID 106396857) is 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is CC(N)CC(=O)NCc1ncon1.
What is the InChIKey of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The InChIKey is UDWIQIIKHSCKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(8)2-7(12)9-3-6-10-4-13-11-6/h4-5H,2-3,8H2,1H3,(H,9,12).
What are the key properties of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide has a molecular weight of 184.20 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is sourced from PubChem (CID 106396857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).