N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide

C13H24N2O3 — CID 174952091

IUPACN-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide
SMILESCCCCC1CC(NC=O)N(CC2CCOC2)O1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-12-7-13(14-10-16)15(18-12)8-11-5-6-17-9-11/h10-13H,2-9H2,1H3,(H,14,16)
InChIKeyZBUKQXZGNKEWSY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.29
Rot. Bonds7

About N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide

N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide (PubChem CID 174952091) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide
PubChem CID174952091
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide
SMILESCCCCC1CC(NC=O)N(CC2CCOC2)O1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-12-7-13(14-10-16)15(18-12)8-11-5-6-17-9-11/h10-13H,2-9H2,1H3,(H,14,16)
InChIKeyZBUKQXZGNKEWSY-UHFFFAOYSA-N
XLogP1.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide
CID 174952094
N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide
CID 174951022
5-butyl-2-methyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254553
2-(oxolan-3-ylmethyl)-5-(2-phenylethyl)-1,2-oxazolidine-3-carboxamide
CID 174847680
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 95141176
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
butane;3-ethyloxolane
CID 143075797
3-ethylsulfonyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65092724
3-ethyloxolane
CID 10996972
N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-1-amine
CID 125456676
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873

Frequently Asked Questions

What is the IUPAC name of N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide?
The IUPAC name of N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide (CID 174952091) is N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide.
What is the SMILES notation for N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide?
The canonical SMILES for N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide is CCCCC1CC(NC=O)N(CC2CCOC2)O1.
What is the InChIKey of N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide?
The InChIKey is ZBUKQXZGNKEWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-4-12-7-13(14-10-16)15(18-12)8-11-5-6-17-9-11/h10-13H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide?
N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide has a molecular weight of 256.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-3-yl]formamide is sourced from PubChem (CID 174952091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).