4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde

C14H19NO2 — CID 174266488

IUPAC4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde
SMILESCC(C)CC1NC(C=O)OC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-10(2)8-12-14(17-13(9-16)15-12)11-6-4-3-5-7-11/h3-7,9-10,12-15H,8H2,1-2H3
InChIKeyIUUDEQHGDHHNTB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds4

About 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde

4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174266488) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174266488
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde
SMILESCC(C)CC1NC(C=O)OC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-10(2)8-12-14(17-13(9-16)15-12)11-6-4-3-5-7-11/h3-7,9-10,12-15H,8H2,1-2H3
InChIKeyIUUDEQHGDHHNTB-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
(4S)-4,5-diphenylimidazolidine-2-carbaldehyde
CID 88594019
(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 130754154
(E)-2-[(R)-hydroxy-[(2R,3S)-3-(2-methylpropyl)aziridin-2-yl]methyl]-3-phenylprop-2-enal
CID 102167239
(1R,2S,3R)-2-benzoyl-3-(2-methylpropyl)cyclopropane-1-carbaldehyde
CID 134999793
2,3-bis(2-methylpropyl)-5-phenylimidazolidin-4-one
CID 83243088
N-[3-[2-[(2S)-3-(2-methylpropyl)aziridin-2-yl]ethyl]cyclobuta-1,3-dien-1-yl]-2-phenylcyclopropane-1-carboxamide
CID 174013824
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
3,5-diphenylpyrazolidine-4-carbaldehyde
CID 73196349
(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10966388

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde (CID 174266488) is 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde is CC(C)CC1NC(C=O)OC1c1ccccc1.
What is the InChIKey of 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is IUUDEQHGDHHNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)8-12-14(17-13(9-16)15-12)11-6-4-3-5-7-11/h3-7,9-10,12-15H,8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde?
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174266488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).