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

C11H18N2O3 — CID 118728310

IUPAC(5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCCC(CC)c1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C11H18N2O3/c1-5-8(6-2)9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3
InChIKeyHXAHKDNCBVIKII-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.64
Rot. Bonds4

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

(5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (PubChem CID 118728310) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
PubChem CID118728310
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCCC(CC)c1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C11H18N2O3/c1-5-8(6-2)9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3
InChIKeyHXAHKDNCBVIKII-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (CID 118728310) is (5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is CCC(CC)c1cc(OC(=O)N(C)C)no1.
What is the InChIKey of (5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is HXAHKDNCBVIKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-8(6-2)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-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
(5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 226.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 118728310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).