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

C18H30N2O2 — CID 10686123

IUPAC(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCC2)=N1
InChIInChI=1S/C18H30N2O2/c1-16(2,3)12-10-21-14(19-12)18(8-7-9-18)15-20-13(11-22-15)17(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyMUPPKWUWZUIUGE-CHWSQXEVSA-N
MW306.45 g/mol
LogP3.84
Rot. Bonds2

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

(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole (PubChem CID 10686123) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole
PubChem CID10686123
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCC2)=N1
InChIInChI=1S/C18H30N2O2/c1-16(2,3)12-10-21-14(19-12)18(8-7-9-18)15-20-13(11-22-15)17(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyMUPPKWUWZUIUGE-CHWSQXEVSA-N
XLogP3.84
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole (CID 10686123) is (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCC2)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MUPPKWUWZUIUGE-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-16(2,3)12-10-21-14(19-12)18(8-7-9-18)15-20-13(11-22-15)17(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 306.45 g/mol, XLogP of 3.84, 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-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10686123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).