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

C25H30N2O2 — CID 10897320

IUPAC(4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
SMILESCC(C)(C1=N[C@@H](c2ccccc2)C(C)(C)O1)C1=N[C@@H](c2ccccc2)C(C)(C)O1
InChIInChI=1S/C25H30N2O2/c1-23(2,21-26-19(24(3,4)28-21)17-13-9-7-10-14-17)22-27-20(25(5,6)29-22)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3/t19-,20-/m0/s1
InChIKeyKKVLQJBCBPVJNU-PMACEKPBSA-N
MW390.53 g/mol
LogP5.91
Rot. Bonds4

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

(4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole (PubChem CID 10897320) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
PubChem CID10897320
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
SMILESCC(C)(C1=N[C@@H](c2ccccc2)C(C)(C)O1)C1=N[C@@H](c2ccccc2)C(C)(C)O1
InChIInChI=1S/C25H30N2O2/c1-23(2,21-26-19(24(3,4)28-21)17-13-9-7-10-14-17)22-27-20(25(5,6)29-22)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3/t19-,20-/m0/s1
InChIKeyKKVLQJBCBPVJNU-PMACEKPBSA-N
XLogP5.91
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(1,3-Bis[4-(t-butyl)phenyl)propane-2,2-diyl]bis(4-phenyl-4,5-dihydrooxazole) (S)-BTBBPh-SaBOX
CID 71608540
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(R(R*,R*))-(+)-2,2'-(isopropylidenebis(4-benzyl-2-oxazoline)
CID 4660577
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 10496806
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
2,2'-Methylenebis((4S)-4-benzyl-4,5-dihydro-2-oxazole)
CID 11028000
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The IUPAC name of (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole (CID 10897320) is (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole is CC(C)(C1=N[C@@H](c2ccccc2)C(C)(C)O1)C1=N[C@@H](c2ccccc2)C(C)(C)O1.
What is the InChIKey of (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The InChIKey is KKVLQJBCBPVJNU-PMACEKPBSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-23(2,21-26-19(24(3,4)28-21)17-13-9-7-10-14-17)22-27-20(25(5,6)29-22)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3/t19-,20-/m0/s1.
What are the key properties of (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
(4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole has a molecular weight of 390.53 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 10897320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).