N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide

C9H15N3O2 — CID 83617752

IUPACN-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide
SMILESCc1nocc1CC(=O)NCCCN
InChIInChI=1S/C9H15N3O2/c1-7-8(6-14-12-7)5-9(13)11-4-2-3-10/h6H,2-5,10H2,1H3,(H,11,13)
InChIKeyDENHWEPLHGCGBM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.01
Rot. Bonds5

About N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide

N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide (PubChem CID 83617752) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide
PubChem CID83617752
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide
SMILESCc1nocc1CC(=O)NCCCN
InChIInChI=1S/C9H15N3O2/c1-7-8(6-14-12-7)5-9(13)11-4-2-3-10/h6H,2-5,10H2,1H3,(H,11,13)
InChIKeyDENHWEPLHGCGBM-UHFFFAOYSA-N
XLogP-0.01
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.01
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

N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 83617546
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 83617756
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
N-(3-aminopropyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119407249
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790505
(3-methyl-1,2-oxazol-4-yl)methanamine;hydrochloride
CID 71306254
N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 83617532
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-(1-aminopropan-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propanamide
CID 110834106
N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 130987515
N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209358

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide (CID 83617752) is N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide is Cc1nocc1CC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is DENHWEPLHGCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-8(6-14-12-7)5-9(13)11-4-2-3-10/h6H,2-5,10H2,1H3,(H,11,13).
What are the key properties of N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide?
N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 83617752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).