2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide

C11H19N3O2 — CID 79236983

IUPAC2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1c(C)noc1C
InChIInChI=1S/C11H19N3O2/c1-4-9(5-12)11(15)13-6-10-7(2)14-16-8(10)3/h9H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyKUWNOALZLBRLAD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.89
Rot. Bonds5

About 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide

2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide (PubChem CID 79236983) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
PubChem CID79236983
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1c(C)noc1C
InChIInChI=1S/C11H19N3O2/c1-4-9(5-12)11(15)13-6-10-7(2)14-16-8(10)3/h9H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyKUWNOALZLBRLAD-UHFFFAOYSA-N
XLogP0.89
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236085
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
4-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-oxopentanoic acid
CID 79235985
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
CID 79236197
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
CID 79242558
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide
CID 79238382
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide
CID 47861587

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide (CID 79236983) is 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide is CCC(CN)C(=O)NCc1c(C)noc1C.
What is the InChIKey of 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide?
The InChIKey is KUWNOALZLBRLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9(5-12)11(15)13-6-10-7(2)14-16-8(10)3/h9H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide?
2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide has a molecular weight of 225.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide is sourced from PubChem (CID 79236983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).