(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C21H33N3O3 — CID 11143291

IUPAC(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C2C(C3=N[C@@H](C(C)C)CO3)C2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C21H33N3O3/c1-10(2)13-7-25-19(22-13)16-17(20-23-14(8-26-20)11(3)4)18(16)21-24-15(9-27-21)12(5)6/h10-18H,7-9H2,1-6H3/t13-,14-,15-,16?,17?,18?/m1/s1
InChIKeyWHGDIGYHNWSRKZ-WAQAYOHYSA-N
MW375.51 g/mol
LogP3.21
Rot. Bonds6

About (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 11143291) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID11143291
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C2C(C3=N[C@@H](C(C)C)CO3)C2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C21H33N3O3/c1-10(2)13-7-25-19(22-13)16-17(20-23-14(8-26-20)11(3)4)18(16)21-24-15(9-27-21)12(5)6/h10-18H,7-9H2,1-6H3/t13-,14-,15-,16?,17?,18?/m1/s1
InChIKeyWHGDIGYHNWSRKZ-WAQAYOHYSA-N
XLogP3.21
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

Tris(oxazolinyl)-cyclopropane
CID 91557750
2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11099673
(4S)-2-[1,2-bis[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-butan-2-yl-4,5-dihydro-1,3-oxazole
CID 11396024
2-[1,3-Bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57244596
2-[(1R,2R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 10991642
(4R)-2-[2,3-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11014262
(4S)-2-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-butan-2-yl-4,5-dihydro-1,3-oxazole
CID 11257836
(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
CID 15896844
2-[(1S,2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101234029
(4R)-4-propan-2-yl-2-[3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4,5-dihydro-1,3-oxazole
CID 102166511
(4R)-2-[(1S,3R)-2,2-dimethyl-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102490073

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 11143291) is (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C2C(C3=N[C@@H](C(C)C)CO3)C2C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is WHGDIGYHNWSRKZ-WAQAYOHYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-10(2)13-7-25-19(22-13)16-17(20-23-14(8-26-20)11(3)4)18(16)21-24-15(9-27-21)12(5)6/h10-18H,7-9H2,1-6H3/t13-,14-,15-,16?,17?,18?/m1/s1.
What are the key properties of (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 375.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11143291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).