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

C24H40N2O2 — CID 138968828

IUPAC(4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C2CCCC2C2CCCC2C2=N[C@@H](C(C)(C)C)CO2)=N1
InChIInChI=1S/C24H40N2O2/c1-23(2,3)19-13-27-21(25-19)17-11-7-9-15(17)16-10-8-12-18(16)22-26-20(14-28-22)24(4,5)6/h15-20H,7-14H2,1-6H3/t15?,16?,17?,18?,19-,20-/m1/s1
InChIKeyWCYCWQUINAILMY-MHUBRMLGSA-N
MW388.60 g/mol
LogP5.51
Rot. Bonds3

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

(4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole (PubChem CID 138968828) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole
PubChem CID138968828
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC Name(4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C2CCCC2C2CCCC2C2=N[C@@H](C(C)(C)C)CO2)=N1
InChIInChI=1S/C24H40N2O2/c1-23(2,3)19-13-27-21(25-19)17-11-7-9-15(17)16-10-8-12-18(16)22-26-20(14-28-22)24(4,5)6/h15-20H,7-14H2,1-6H3/t15?,16?,17?,18?,19-,20-/m1/s1
InChIKeyWCYCWQUINAILMY-MHUBRMLGSA-N
XLogP5.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-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-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole (CID 138968828) is (4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(C2CCCC2C2CCCC2C2=N[C@@H](C(C)(C)C)CO2)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is WCYCWQUINAILMY-MHUBRMLGSA-N. The full InChI is InChI=1S/C24H40N2O2/c1-23(2,3)19-13-27-21(25-19)17-11-7-9-15(17)16-10-8-12-18(16)22-26-20(14-28-22)24(4,5)6/h15-20H,7-14H2,1-6H3/t15?,16?,17?,18?,19-,20-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 388.60 g/mol, XLogP of 5.51, 3 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-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 138968828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).