(4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole

C26H34N2O2 — CID 143066051

IUPAC(4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=N[C@@H](c2ccccc2C2=CC=CCC2[C@H]2COC(C(C)(C)C)=N2)CO1
InChIInChI=1S/C26H34N2O2/c1-25(2,3)23-27-21(15-29-23)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22-16-30-24(28-22)26(4,5)6/h7-13,20-22H,14-16H2,1-6H3/t20?,21-,22-/m1/s1
InChIKeyMDWACKGNEKRAGQ-HRUVVLKGSA-N
MW406.57 g/mol
LogP6.01
Rot. Bonds3

About (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole

(4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 143066051) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID143066051
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name(4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=N[C@@H](c2ccccc2C2=CC=CCC2[C@H]2COC(C(C)(C)C)=N2)CO1
InChIInChI=1S/C26H34N2O2/c1-25(2,3)23-27-21(15-29-23)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22-16-30-24(28-22)26(4,5)6/h7-13,20-22H,14-16H2,1-6H3/t20?,21-,22-/m1/s1
InChIKeyMDWACKGNEKRAGQ-HRUVVLKGSA-N
XLogP6.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

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
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 134839866
(4R)-2-[(1R,2R)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 134839892
(4S)-2-[(1R,2R)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 134839893
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 143066051) is (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)C1=N[C@@H](c2ccccc2C2=CC=CCC2[C@H]2COC(C(C)(C)C)=N2)CO1.
What is the InChIKey of (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MDWACKGNEKRAGQ-HRUVVLKGSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-25(2,3)23-27-21(15-29-23)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22-16-30-24(28-22)26(4,5)6/h7-13,20-22H,14-16H2,1-6H3/t20?,21-,22-/m1/s1.
What are the key properties of (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole?
(4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 406.57 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 143066051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).