N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C10H16N2O4 — CID 66157155

IUPACN-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1cc(C)on1
InChIInChI=1S/C10H16N2O4/c1-6-5-8(12-16-6)9(13)11-7(2)10(14-3)15-4/h5,7,10H,1-4H3,(H,11,13)
InChIKeyNMDXTXGGJGWTEI-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.72
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 66157155) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID66157155
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1cc(C)on1
InChIInChI=1S/C10H16N2O4/c1-6-5-8(12-16-6)9(13)11-7(2)10(14-3)15-4/h5,7,10H,1-4H3,(H,11,13)
InChIKeyNMDXTXGGJGWTEI-UHFFFAOYSA-N
XLogP0.72
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
CID 78790456
N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 144777996
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143460357
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 66157155) is N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is COC(OC)C(C)NC(=O)c1cc(C)on1.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NMDXTXGGJGWTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6-5-8(12-16-6)9(13)11-7(2)10(14-3)15-4/h5,7,10H,1-4H3,(H,11,13).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66157155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).