(3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde

C18H25NO2 — CID 11185312

IUPAC(3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde
SMILESC[C@H]1ON(Cc2ccccc2)[C@@H](C2CCCCC2)[C@@H]1C=O
InChIInChI=1S/C18H25NO2/c1-14-17(13-20)18(16-10-6-3-7-11-16)19(21-14)12-15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16-18H,3,6-7,10-12H2,1H3/t14-,17-,18+/m1/s1
InChIKeyFMIUXPDJSQVWCI-OLMNPRSZSA-N
MW287.40 g/mol
LogP3.59
Rot. Bonds4

About (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde

(3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde (PubChem CID 11185312) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde
PubChem CID11185312
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde
SMILESC[C@H]1ON(Cc2ccccc2)[C@@H](C2CCCCC2)[C@@H]1C=O
InChIInChI=1S/C18H25NO2/c1-14-17(13-20)18(16-10-6-3-7-11-16)19(21-14)12-15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16-18H,3,6-7,10-12H2,1H3/t14-,17-,18+/m1/s1
InChIKeyFMIUXPDJSQVWCI-OLMNPRSZSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde?
The IUPAC name of (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde (CID 11185312) is (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde.
What is the SMILES notation for (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde?
The canonical SMILES for (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde is C[C@H]1ON(Cc2ccccc2)[C@@H](C2CCCCC2)[C@@H]1C=O.
What is the InChIKey of (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde?
The InChIKey is FMIUXPDJSQVWCI-OLMNPRSZSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-17(13-20)18(16-10-6-3-7-11-16)19(21-14)12-15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16-18H,3,6-7,10-12H2,1H3/t14-,17-,18+/m1/s1.
What are the key properties of (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde?
(3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde has a molecular weight of 287.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-2-benzyl-3-cyclohexyl-5-methyl-1,2-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 11185312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).