2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

C10H17N3O2 — CID 3549380

IUPAC2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NCC(C)C)co1
InChIInChI=1S/C10H17N3O2/c1-7(2)4-12-10(14)8-6-15-9(13-8)5-11-3/h6-7,11H,4-5H2,1-3H3,(H,12,14)
InChIKeyLFJMOKQHHYWPQP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.78
Rot. Bonds5

About 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 3549380) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID3549380
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NCC(C)C)co1
InChIInChI=1S/C10H17N3O2/c1-7(2)4-12-10(14)8-6-15-9(13-8)5-11-3/h6-7,11H,4-5H2,1-3H3,(H,12,14)
InChIKeyLFJMOKQHHYWPQP-UHFFFAOYSA-N
XLogP0.78
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
N-(3-methylbutyl)-2-[(3-methylbutylamino)methyl]-1,3-oxazole-4-carboxamide
CID 42766132
2-[[butanoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 4677141
2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3671198
2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3804725
ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate
CID 3839253
N-(2-methylpropyl)-2-[[2-methylpropyl(pentanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 5015669
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
N-(2-methylpropyl)-2-[[2-methylpropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3890985
2-[[cyclohexylcarbamoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 1195816

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 3549380) is 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is CNCc1nc(C(=O)NCC(C)C)co1.
What is the InChIKey of 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LFJMOKQHHYWPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)4-12-10(14)8-6-15-9(13-8)5-11-3/h6-7,11H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3549380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).