(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

C18H24N2O2 — CID 11317842

IUPAC(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)c2)=N1
InChIInChI=1S/C18H24N2O2/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16-/m1/s1
InChIKeyZGKPVKPCZOURSR-HZPDHXFCSA-N
MW300.40 g/mol
LogP3.29
Rot. Bonds4

About (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11317842) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID11317842
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)c2)=N1
InChIInChI=1S/C18H24N2O2/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16-/m1/s1
InChIKeyZGKPVKPCZOURSR-HZPDHXFCSA-N
XLogP3.29
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 11317842) is (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)c2)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZGKPVKPCZOURSR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 300.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11317842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).