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

C18H26N2O4 — CID 174951022

IUPACN-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide
SMILESO=CNC1CC(CCOCc2ccccc2)ON1CC1CCOC1
InChIInChI=1S/C18H26N2O4/c21-14-19-18-10-17(24-20(18)11-16-6-8-22-13-16)7-9-23-12-15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H,19,21)
InChIKeyKYFOYUAKXDIMQL-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.71
Rot. Bonds9

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

N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide (PubChem CID 174951022) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide
PubChem CID174951022
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide
SMILESO=CNC1CC(CCOCc2ccccc2)ON1CC1CCOC1
InChIInChI=1S/C18H26N2O4/c21-14-19-18-10-17(24-20(18)11-16-6-8-22-13-16)7-9-23-12-15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H,19,21)
InChIKeyKYFOYUAKXDIMQL-UHFFFAOYSA-N
XLogP1.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-3-ylmethyl)-5-(2-phenylethyl)-1,2-oxazolidine-3-carboxamide
CID 174847680
N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201887
4-chloro-3-(2-phenylmethoxyethyl)oxane
CID 130537120
N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
CID 129398388
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
5-(2-phenylmethoxyethyl)-1,3-dioxane-2-carbaldehyde
CID 174752217
N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201904
N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201885
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid
CID 68631273
(2S,8S)-2,8-bis(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecane-4,10-dione
CID 10671347

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide?
The IUPAC name of N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide (CID 174951022) is N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide.
What is the SMILES notation for N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide?
The canonical SMILES for N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide is O=CNC1CC(CCOCc2ccccc2)ON1CC1CCOC1.
What is the InChIKey of N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide?
The InChIKey is KYFOYUAKXDIMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-14-19-18-10-17(24-20(18)11-16-6-8-22-13-16)7-9-23-12-15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H,19,21).
What are the key properties of N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide?
N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide has a molecular weight of 334.42 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide is sourced from PubChem (CID 174951022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).