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

C24H28N4O2 — CID 177418004

IUPACbis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
SMILESCC(C)[C@H]1COC(c2ccccc2/N=N/c2ccccc2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C24H28N4O2/c1-15(2)21-13-29-23(25-21)17-9-5-7-11-19(17)27-28-20-12-8-6-10-18(20)24-26-22(14-30-24)16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3/b28-27+/t21-,22-/m1/s1
InChIKeyTZHKIKIGCMTDAA-QRZAGKNRSA-N
MW404.51 g/mol
LogP5.70
Rot. Bonds6

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

bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene (PubChem CID 177418004) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene.

Molecular Properties

Compound Namebis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
PubChem CID177418004
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Namebis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
SMILESCC(C)[C@H]1COC(c2ccccc2/N=N/c2ccccc2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C24H28N4O2/c1-15(2)21-13-29-23(25-21)17-9-5-7-11-19(17)27-28-20-12-8-6-10-18(20)24-26-22(14-30-24)16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3/b28-27+/t21-,22-/m1/s1
InChIKeyTZHKIKIGCMTDAA-QRZAGKNRSA-N
XLogP5.70
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496732
[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane
CID 127262986
4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101018695
dizinc;bis(bis(trimethylsilyl)azanide);bis(N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenecarboximidate)
CID 139107796
3-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzene-1,2-diamine
CID 175071327
chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene
CID 135490448
2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 155898661
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 10987065
tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane
CID 23279681
(4R)-2-[2,5-dimethyl-3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 175482687

Frequently Asked Questions

What is the IUPAC name of bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene?
The IUPAC name of bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene (CID 177418004) is bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene.
What is the SMILES notation for bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene?
The canonical SMILES for bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene is CC(C)[C@H]1COC(c2ccccc2/N=N/c2ccccc2C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene?
The InChIKey is TZHKIKIGCMTDAA-QRZAGKNRSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15(2)21-13-29-23(25-21)17-9-5-7-11-19(17)27-28-20-12-8-6-10-18(20)24-26-22(14-30-24)16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3/b28-27+/t21-,22-/m1/s1.
What are the key properties of bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene?
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene has a molecular weight of 404.51 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene is sourced from PubChem (CID 177418004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).