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

C19H32N2O2 — CID 10639448

IUPAC(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCCC2)=N1
InChIInChI=1S/C19H32N2O2/c1-17(2,3)13-11-22-15(20-13)19(9-7-8-10-19)16-21-14(12-23-16)18(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyWGMVBTAYSGCATC-ZIAGYGMSSA-N
MW320.48 g/mol
LogP4.23
Rot. Bonds2

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

(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole (PubChem CID 10639448) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-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]cyclopentyl]-4,5-dihydro-1,3-oxazole
PubChem CID10639448
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCCC2)=N1
InChIInChI=1S/C19H32N2O2/c1-17(2,3)13-11-22-15(20-13)19(9-7-8-10-19)16-21-14(12-23-16)18(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyWGMVBTAYSGCATC-ZIAGYGMSSA-N
XLogP4.23
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.23
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]cyclopentyl]-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]cyclopentyl]-4,5-dihydro-1,3-oxazole (CID 10639448) is (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-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]cyclopentyl]-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]cyclopentyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCCC2)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is WGMVBTAYSGCATC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-17(2,3)13-11-22-15(20-13)19(9-7-8-10-19)16-21-14(12-23-16)18(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/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]cyclopentyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 320.48 g/mol, XLogP of 4.23, 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]cyclopentyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10639448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).