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

C13H22N2O3 — CID 118728311

IUPAC(5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCCCCC(CC)c1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C13H22N2O3/c1-5-7-8-10(6-2)11-9-12(14-18-11)17-13(16)15(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAOJCNQSKWQQPLD-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.42
Rot. Bonds6

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

(5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (PubChem CID 118728311) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
PubChem CID118728311
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCCCCC(CC)c1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C13H22N2O3/c1-5-7-8-10(6-2)11-9-12(14-18-11)17-13(16)15(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAOJCNQSKWQQPLD-UHFFFAOYSA-N
XLogP3.42
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (CID 118728311) is (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is CCCCC(CC)c1cc(OC(=O)N(C)C)no1.
What is the InChIKey of (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is AOJCNQSKWQQPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-7-8-10(6-2)11-9-12(14-18-11)17-13(16)15(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
(5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 254.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-heptan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 118728311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).