(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine

C18H25NO3 — CID 7350920

IUPAC(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine
SMILESc1ccc([C@@H]2OCCN2C[C@@H]2COC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H25NO3/c1-3-7-15(8-4-1)17-19(11-12-20-17)13-16-14-21-18(22-16)9-5-2-6-10-18/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t16-,17+/m1/s1
InChIKeyBHSBYMQSMJJGLF-SJORKVTESA-N
MW303.40 g/mol
LogP3.09
Rot. Bonds3

About (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine

(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine (PubChem CID 7350920) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine
PubChem CID7350920
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine
SMILESc1ccc([C@@H]2OCCN2C[C@@H]2COC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H25NO3/c1-3-7-15(8-4-1)17-19(11-12-20-17)13-16-14-21-18(22-16)9-5-2-6-10-18/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t16-,17+/m1/s1
InChIKeyBHSBYMQSMJJGLF-SJORKVTESA-N
XLogP3.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine with MolForge

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Related Compounds

(2S)-3-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-pyridin-4-yl-1,3-oxazolidine
CID 6598506
3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine
CID 4668228
1-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-4-phenylpiperazine
CID 10225976
1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 54470144
1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine
CID 2832845
(2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine
CID 11899512
3-(2-methylpropyl)-2-phenyl-1,3-oxazolidine
CID 14934066
[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol
CID 81218739
3-butyl-2-phenyl-1,3-oxazolidine
CID 17386684
1-[(9-phenyl-1,5-dioxaspiro[5.5]undecan-4-yl)methyl]piperidine
CID 14990529
[4-(1,4-dioxaspiro[4.5]decan-3-ylmethoxy)phenyl]-diphenylsulfanium
CID 140699184
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine?
The IUPAC name of (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine (CID 7350920) is (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine is c1ccc([C@@H]2OCCN2C[C@@H]2COC3(CCCCC3)O2)cc1.
What is the InChIKey of (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine?
The InChIKey is BHSBYMQSMJJGLF-SJORKVTESA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-7-15(8-4-1)17-19(11-12-20-17)13-16-14-21-18(22-16)9-5-2-6-10-18/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t16-,17+/m1/s1.
What are the key properties of (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine?
(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine has a molecular weight of 303.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 7350920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).