N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C9H15N3O2 — CID 62657278

IUPACN-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCNCCNC(=O)c1cnoc1C
InChIInChI=1S/C9H15N3O2/c1-3-10-4-5-11-9(13)8-6-12-14-7(8)2/h6,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyYCEUGJAAOJATKM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.32
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 62657278) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID62657278
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCNCCNC(=O)c1cnoc1C
InChIInChI=1S/C9H15N3O2/c1-3-10-4-5-11-9(13)8-6-12-14-7(8)2/h6,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyYCEUGJAAOJATKM-UHFFFAOYSA-N
XLogP0.32
TPSA67.16 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 ≤ 50.32
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-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate
CID 15007138
N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114297508
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682600
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride
CID 119507049
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 90649554
N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806116

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 62657278) is N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is CCNCCNC(=O)c1cnoc1C.
What is the InChIKey of N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YCEUGJAAOJATKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-10-4-5-11-9(13)8-6-12-14-7(8)2/h6,10H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 62657278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).