2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide

C12H21N3O3 — CID 104593398

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCNCC(C)O
InChIInChI=1S/C12H21N3O3/c1-8(16)7-13-4-5-14-12(17)6-11-9(2)15-18-10(11)3/h8,13,16H,4-7H2,1-3H3,(H,14,17)
InChIKeyRAKQVCBWHUXLLW-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.08
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide (PubChem CID 104593398) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
PubChem CID104593398
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCNCC(C)O
InChIInChI=1S/C12H21N3O3/c1-8(16)7-13-4-5-14-12(17)6-11-9(2)15-18-10(11)3/h8,13,16H,4-7H2,1-3H3,(H,14,17)
InChIKeyRAKQVCBWHUXLLW-UHFFFAOYSA-N
XLogP-0.08
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480631
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 63294569
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471637
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356765
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111119841
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 119525893
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18133754
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
N-(3-amino-3-phenylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 80505661

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide (CID 104593398) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide is Cc1noc(C)c1CC(=O)NCCNCC(C)O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The InChIKey is RAKQVCBWHUXLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(16)7-13-4-5-14-12(17)6-11-9(2)15-18-10(11)3/h8,13,16H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide is sourced from PubChem (CID 104593398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).