(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole

C19H34N2O2 — CID 91994146

IUPAC(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCC(C)(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C19H34N2O2/c1-9-10-19(8,15-20-13(11-22-15)17(2,3)4)16-21-14(12-23-16)18(5,6)7/h13-14H,9-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyYKIWLUKWQYVTLI-ZIAGYGMSSA-N
MW322.49 g/mol
LogP4.48
Rot. Bonds4

About (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 91994146) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID91994146
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCC(C)(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C19H34N2O2/c1-9-10-19(8,15-20-13(11-22-15)17(2,3)4)16-21-14(12-23-16)18(5,6)7/h13-14H,9-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyYKIWLUKWQYVTLI-ZIAGYGMSSA-N
XLogP4.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

t-Bu-box, (S,S)-
CID 688208
2,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]
CID 688207
t-Bu-box, (R,R)-
CID 688210
4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495276
Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane
CID 688205
(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
CID 10880944
2,2-Bis((4S)-(-)-4-isopropyloxazoline)propane
CID 11821563
1,2,2-Tris((S)-4-isopropyl-4,5-dihydro-2-oxazolyl)propane
CID 11485737
4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 372806
4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495275
4-Tert-butyl-2-[(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 3479933
(4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole
CID 101353528

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole (CID 91994146) is (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole is CCCC(C)(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is YKIWLUKWQYVTLI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-9-10-19(8,15-20-13(11-22-15)17(2,3)4)16-21-14(12-23-16)18(5,6)7/h13-14H,9-12H2,1-8H3/t13-,14-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 322.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91994146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).