(2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine

C28H30N2O — CID 102586494

IUPAC(2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine
SMILESCc1ccccc1C1(c2ccccc2C)O[C@@H](C)N(C)[C@H]1Cc1c[nH]c2ccccc12
InChIInChI=1S/C28H30N2O/c1-19-11-5-8-14-24(19)28(25-15-9-6-12-20(25)2)27(30(4)21(3)31-28)17-22-18-29-26-16-10-7-13-23(22)26/h5-16,18,21,27,29H,17H2,1-4H3/t21-,27-/m0/s1
InChIKeyDGDDCRHVXXTGHX-IDISGSTGSA-N
MW410.56 g/mol
LogP5.95
Rot. Bonds4

About (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine

(2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine (PubChem CID 102586494) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine
PubChem CID102586494
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Name(2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine
SMILESCc1ccccc1C1(c2ccccc2C)O[C@@H](C)N(C)[C@H]1Cc1c[nH]c2ccccc12
InChIInChI=1S/C28H30N2O/c1-19-11-5-8-14-24(19)28(25-15-9-6-12-20(25)2)27(30(4)21(3)31-28)17-22-18-29-26-16-10-7-13-23(22)26/h5-16,18,21,27,29H,17H2,1-4H3/t21-,27-/m0/s1
InChIKeyDGDDCRHVXXTGHX-IDISGSTGSA-N
XLogP5.95
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine with MolForge

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Related Compounds

3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086588
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20537385
1H-indol-3-ylmethyl(dimethyl)azanium chloride
CID 45033090
methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 38828547
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride
CID 74830761
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one
CID 158110521
2-(1H-indol-3-ylmethyl)-3-methylaniline
CID 175306160

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine?
The IUPAC name of (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine (CID 102586494) is (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine is Cc1ccccc1C1(c2ccccc2C)O[C@@H](C)N(C)[C@H]1Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine?
The InChIKey is DGDDCRHVXXTGHX-IDISGSTGSA-N. The full InChI is InChI=1S/C28H30N2O/c1-19-11-5-8-14-24(19)28(25-15-9-6-12-20(25)2)27(30(4)21(3)31-28)17-22-18-29-26-16-10-7-13-23(22)26/h5-16,18,21,27,29H,17H2,1-4H3/t21-,27-/m0/s1.
What are the key properties of (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine?
(2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine has a molecular weight of 410.56 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(1H-indol-3-ylmethyl)-2,3-dimethyl-5,5-bis(2-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 102586494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).