[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane

C21H32N2O2Sn — CID 127262986

IUPAC[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane
SMILESCC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)c2[Sn](C)(C)C)=N1
InChIInChI=1S/C18H23N2O2.3CH3.Sn/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4;;;;/h5-7,11-12,15-16H,9-10H2,1-4H3;3*1H3;/t15-,16-;;;;/m1..../s1
InChIKeyLDJSGJPVVSXPQU-WOLYCILSSA-N
MW463.21 g/mol
LogP3.83
Rot. Bonds5

About [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane

[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane (PubChem CID 127262986) has the molecular formula C21H32N2O2Sn and a molecular weight of 463.21 g/mol. Its IUPAC name is [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane.

Molecular Properties

Compound Name[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane
PubChem CID127262986
Molecular FormulaC21H32N2O2Sn
Molecular Weight463.21 g/mol
Exact Mass464.15
IUPAC Name[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane
SMILESCC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)c2[Sn](C)(C)C)=N1
InChIInChI=1S/C18H23N2O2.3CH3.Sn/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4;;;;/h5-7,11-12,15-16H,9-10H2,1-4H3;3*1H3;/t15-,16-;;;;/m1..../s1
InChIKeyLDJSGJPVVSXPQU-WOLYCILSSA-N
XLogP3.83
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496732
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
CID 177418004
3-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzene-1,2-diamine
CID 175071327
4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101018695
neodymium(3+);(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;trichloride
CID 173243081
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene
CID 135490448
chromium(3+);[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-methylsulfonylazanide;dichloride
CID 101378494
(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10265091
tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane
CID 23279681
(4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 175482687

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane?
The IUPAC name of [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane (CID 127262986) is [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane.
What is the SMILES notation for [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane?
The canonical SMILES for [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane is CC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)c2[Sn](C)(C)C)=N1.
What is the InChIKey of [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane?
The InChIKey is LDJSGJPVVSXPQU-WOLYCILSSA-N. The full InChI is InChI=1S/C18H23N2O2.3CH3.Sn/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4;;;;/h5-7,11-12,15-16H,9-10H2,1-4H3;3*1H3;/t15-,16-;;;;/m1..../s1.
What are the key properties of [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane?
[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane has a molecular weight of 463.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane is sourced from PubChem (CID 127262986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).