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

C17H28N2O2 — CID 10780008

IUPAC(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CC2)=N1
InChIInChI=1S/C17H28N2O2/c1-15(2,3)11-9-20-13(18-11)17(7-8-17)14-19-12(10-21-14)16(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyLUKXYKUSOPDGKX-VXGBXAGGSA-N
MW292.42 g/mol
LogP3.45
Rot. Bonds2

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

(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole (PubChem CID 10780008) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-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]cyclopropyl]-4,5-dihydro-1,3-oxazole
PubChem CID10780008
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CC2)=N1
InChIInChI=1S/C17H28N2O2/c1-15(2,3)11-9-20-13(18-11)17(7-8-17)14-19-12(10-21-14)16(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyLUKXYKUSOPDGKX-VXGBXAGGSA-N
XLogP3.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]cyclopropyl]-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]cyclopropyl]-4,5-dihydro-1,3-oxazole (CID 10780008) is (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-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]cyclopropyl]-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]cyclopropyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CC2)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LUKXYKUSOPDGKX-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15(2,3)11-9-20-13(18-11)17(7-8-17)14-19-12(10-21-14)16(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/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]cyclopropyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 292.42 g/mol, XLogP of 3.45, 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]cyclopropyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10780008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).