[5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate

C11H18N2O3 — CID 118728313

IUPAC[5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
SMILESCCC(C)Cc1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C11H18N2O3/c1-5-8(2)6-9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3
InChIKeyDJQAKXSBFHNOFW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.32
Rot. Bonds4

About [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate

[5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate (PubChem CID 118728313) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
PubChem CID118728313
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name[5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
SMILESCCC(C)Cc1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C11H18N2O3/c1-5-8(2)6-9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3
InChIKeyDJQAKXSBFHNOFW-UHFFFAOYSA-N
XLogP2.32
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate (CID 118728313) is [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate is CCC(C)Cc1cc(OC(=O)N(C)C)no1.
What is the InChIKey of [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The InChIKey is DJQAKXSBFHNOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-8(2)6-9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
[5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate has a molecular weight of 226.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 118728313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).