4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide

C9H15N3O2 — CID 81071258

IUPAC4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)CN)on1
InChIInChI=1S/C9H15N3O2/c1-6(5-10)3-8(13)11-9-4-7(2)12-14-9/h4,6H,3,5,10H2,1-2H3,(H,11,13)
InChIKeyXTKNZSPCOPAVTB-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide

4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide (PubChem CID 81071258) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
PubChem CID81071258
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)CN)on1
InChIInChI=1S/C9H15N3O2/c1-6(5-10)3-8(13)11-9-4-7(2)12-14-9/h4,6H,3,5,10H2,1-2H3,(H,11,13)
InChIKeyXTKNZSPCOPAVTB-UHFFFAOYSA-N
XLogP0.91
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 104501972
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
CID 81079755
2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 66232131
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
2-(1-aminocyclopentyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64683322
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
methyl 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 51108186
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95629512

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide (CID 81071258) is 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide is Cc1cc(NC(=O)CC(C)CN)on1.
What is the InChIKey of 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The InChIKey is XTKNZSPCOPAVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(5-10)3-8(13)11-9-4-7(2)12-14-9/h4,6H,3,5,10H2,1-2H3,(H,11,13).
What are the key properties of 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide has a molecular weight of 197.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide is sourced from PubChem (CID 81071258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).