(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

C22H37N3O3 — CID 11257836

IUPAC(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
SMILESCCC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C(C)C)CO2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C22H37N3O3/c1-8-15(6)18-12-26-19(23-18)9-22(7,20-24-16(10-27-20)13(2)3)21-25-17(11-28-21)14(4)5/h13-18H,8-12H2,1-7H3/t15?,16-,17-,18-/m1/s1
InChIKeyZTELCSAVBOCHJL-QSLYMNIHSA-N
MW391.56 g/mol
LogP4.13
Rot. Bonds8

About (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

(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 (PubChem CID 11257836) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11257836
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name(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
SMILESCCC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C(C)C)CO2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C22H37N3O3/c1-8-15(6)18-12-26-19(23-18)9-22(7,20-24-16(10-27-20)13(2)3)21-25-17(11-28-21)14(4)5/h13-18H,8-12H2,1-7H3/t15?,16-,17-,18-/m1/s1
InChIKeyZTELCSAVBOCHJL-QSLYMNIHSA-N
XLogP4.13
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
CID 10880944
1,2,2-Tris((S)-4-isopropyl-4,5-dihydro-2-oxazolyl)propane
CID 11485737
(4S,4'S)-2,2'-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole]
CID 10639448
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-isobutyl-4,5-dihydrooxazole)
CID 10891732
(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)
CID 11759085
(4S)-2-[2,6-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10641628
(4R)-4-[(2S)-butan-2-yl]-2-[2-[(4R)-4-[(2S)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 23636434
(4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-isopropyl-4,5-dihydrooxazole)
CID 60149608
(4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 73294010
(4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 134864751
(4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 134866225
(4S)-4-propyl-2-[3-[(4S)-4-propyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazole
CID 134991263

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C(C)C)CO2)C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of (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?
The InChIKey is ZTELCSAVBOCHJL-QSLYMNIHSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-8-15(6)18-12-26-19(23-18)9-22(7,20-24-16(10-27-20)13(2)3)21-25-17(11-28-21)14(4)5/h13-18H,8-12H2,1-7H3/t15?,16-,17-,18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 391.56 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11257836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).