ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate

C11H20N2O3 — CID 155739085

IUPACethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate
SMILESCC.Cc1nc(NC(=O)OCC(C)C)co1
InChIInChI=1S/C9H14N2O3.C2H6/c1-6(2)4-14-9(12)11-8-5-13-7(3)10-8;1-2/h5-6H,4H2,1-3H3,(H,11,12);1-2H3
InChIKeySIFILLQJDOEZIK-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.21
Rot. Bonds3

About ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate

ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate (PubChem CID 155739085) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate.

Molecular Properties

Compound Nameethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate
PubChem CID155739085
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate
SMILESCC.Cc1nc(NC(=O)OCC(C)C)co1
InChIInChI=1S/C9H14N2O3.C2H6/c1-6(2)4-14-9(12)11-8-5-13-7(3)10-8;1-2/h5-6H,4H2,1-3H3,(H,11,12);1-2H3
InChIKeySIFILLQJDOEZIK-UHFFFAOYSA-N
XLogP3.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate
CID 178059117
2-methylpropyl N-pyridazin-3-ylcarbamate
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2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
CID 104620381
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane
CID 142525456
2-methylpropyl N-hydroxycarbamate
CID 22467
2,3-dimethyl-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 63021039

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate?
The IUPAC name of ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate (CID 155739085) is ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate.
What is the SMILES notation for ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate?
The canonical SMILES for ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate is CC.Cc1nc(NC(=O)OCC(C)C)co1.
What is the InChIKey of ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate?
The InChIKey is SIFILLQJDOEZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3.C2H6/c1-6(2)4-14-9(12)11-8-5-13-7(3)10-8;1-2/h5-6H,4H2,1-3H3,(H,11,12);1-2H3.
What are the key properties of ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate?
ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate has a molecular weight of 228.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate is sourced from PubChem (CID 155739085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).