(3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine

C14H19NO2 — CID 90934999

IUPAC(3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine
SMILESC[C@@]1(Cc2ccccc2)OCON1CC1CC1
InChIInChI=1S/C14H19NO2/c1-14(9-12-5-3-2-4-6-12)15(17-11-16-14)10-13-7-8-13/h2-6,13H,7-11H2,1H3/t14-/m0/s1
InChIKeyQVDAQPISUNCYSN-AWEZNQCLSA-N
MW233.31 g/mol
LogP2.58
Rot. Bonds4

About (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine

(3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine (PubChem CID 90934999) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine.

Molecular Properties

Compound Name(3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine
PubChem CID90934999
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine
SMILESC[C@@]1(Cc2ccccc2)OCON1CC1CC1
InChIInChI=1S/C14H19NO2/c1-14(9-12-5-3-2-4-6-12)15(17-11-16-14)10-13-7-8-13/h2-6,13H,7-11H2,1H3/t14-/m0/s1
InChIKeyQVDAQPISUNCYSN-AWEZNQCLSA-N
XLogP2.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1,4-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[d][1,3]oxazine
CID 23269964
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
3-benzyl-3-methyloxiran-2-amine
CID 130712281
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-benzyl-3-ethyloxiran-2-ol
CID 141291266
(4S,9aS)-4-benzyl-4-methyl-1,2,7,8,9,9a-hexahydropyrrolo[1,2-d][1,4]thiazepin-5-one
CID 11448762
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984
6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64901986
1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175205971

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine?
The IUPAC name of (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine (CID 90934999) is (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine.
What is the SMILES notation for (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine?
The canonical SMILES for (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine is C[C@@]1(Cc2ccccc2)OCON1CC1CC1.
What is the InChIKey of (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine?
The InChIKey is QVDAQPISUNCYSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(9-12-5-3-2-4-6-12)15(17-11-16-14)10-13-7-8-13/h2-6,13H,7-11H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine?
(3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine has a molecular weight of 233.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-2-(cyclopropylmethyl)-3-methyl-1,4,2-dioxazolidine is sourced from PubChem (CID 90934999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).