(5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate

C10H16N2O3 — CID 118728307

IUPAC(5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCCC(C)c1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C10H16N2O3/c1-5-7(2)8-6-9(11-15-8)14-10(13)12(3)4/h6-7H,5H2,1-4H3
InChIKeyUBEFCLRADBKPQP-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.25
Rot. Bonds3

About (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate

(5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (PubChem CID 118728307) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
PubChem CID118728307
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCCC(C)c1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C10H16N2O3/c1-5-7(2)8-6-9(11-15-8)14-10(13)12(3)4/h6-7H,5H2,1-4H3
InChIKeyUBEFCLRADBKPQP-UHFFFAOYSA-N
XLogP2.25
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (CID 118728307) is (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is CCC(C)c1cc(OC(=O)N(C)C)no1.
What is the InChIKey of (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is UBEFCLRADBKPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-7(2)8-6-9(11-15-8)14-10(13)12(3)4/h6-7H,5H2,1-4H3.
What are the key properties of (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
(5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 212.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 118728307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).