(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole

C21H38N2O2 — CID 15183770

IUPAC(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC(C)(C1=N[C@@H](C(C)(C)C)C(C)(C)O1)C1=N[C@@H](C(C)(C)C)C(C)(C)O1
InChIInChI=1S/C21H38N2O2/c1-17(2,3)13-20(9,10)24-15(22-13)19(7,8)16-23-14(18(4,5)6)21(11,12)25-16/h13-14H,1-12H3/t13-,14-/m0/s1
InChIKeyBTTANVPDCCFGIH-KBPBESRZSA-N
MW350.55 g/mol
LogP5.26
Rot. Bonds2

About (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole

(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 15183770) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID15183770
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC(C)(C1=N[C@@H](C(C)(C)C)C(C)(C)O1)C1=N[C@@H](C(C)(C)C)C(C)(C)O1
InChIInChI=1S/C21H38N2O2/c1-17(2,3)13-20(9,10)24-15(22-13)19(7,8)16-23-14(18(4,5)6)21(11,12)25-16/h13-14H,1-12H3/t13-,14-/m0/s1
InChIKeyBTTANVPDCCFGIH-KBPBESRZSA-N
XLogP5.26
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

t-Bu-box, (S,S)-
CID 688208
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
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
(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
(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)
CID 11759085
(4R)-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 688209
(4R)-2-[[(4R)-5,5-dimethyl-4-(2-methylpropyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-(2-methylpropyl)-4H-1,3-oxazole
CID 18345489
(4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole
CID 18345499
(4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole
CID 18345501
(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole
CID 18345538
(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole
CID 18345539

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole (CID 15183770) is (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole is CC(C)(C1=N[C@@H](C(C)(C)C)C(C)(C)O1)C1=N[C@@H](C(C)(C)C)C(C)(C)O1.
What is the InChIKey of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is BTTANVPDCCFGIH-KBPBESRZSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-17(2,3)13-20(9,10)24-15(22-13)19(7,8)16-23-14(18(4,5)6)21(11,12)25-16/h13-14H,1-12H3/t13-,14-/m0/s1.
What are the key properties of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 350.55 g/mol, XLogP of 5.26, 2 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-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 15183770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).