5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide

C13H24N2O3 — CID 174952094

IUPAC5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide
SMILESCCCCC1CC(C(N)=O)N(CC2CCOC2)O1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-11-7-12(13(14)16)15(18-11)8-10-5-6-17-9-10/h10-12H,2-9H2,1H3,(H2,14,16)
InChIKeyFKAMTARASRVCSQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.07
Rot. Bonds6

About 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide

5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide (PubChem CID 174952094) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide
PubChem CID174952094
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide
SMILESCCCCC1CC(C(N)=O)N(CC2CCOC2)O1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-11-7-12(13(14)16)15(18-11)8-10-5-6-17-9-10/h10-12H,2-9H2,1H3,(H2,14,16)
InChIKeyFKAMTARASRVCSQ-UHFFFAOYSA-N
XLogP1.07
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide?
The IUPAC name of 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide (CID 174952094) is 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide.
What is the SMILES notation for 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide?
The canonical SMILES for 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide is CCCCC1CC(C(N)=O)N(CC2CCOC2)O1.
What is the InChIKey of 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide?
The InChIKey is FKAMTARASRVCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-4-11-7-12(13(14)16)15(18-11)8-10-5-6-17-9-10/h10-12H,2-9H2,1H3,(H2,14,16).
What are the key properties of 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide?
5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide is sourced from PubChem (CID 174952094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).