(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

C22H26N4O4 — CID 102128598

IUPAC(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1COC(c2cc(C3=N[C@H](C)CO3)c(C3=N[C@H](C)CO3)cc2C2=N[C@H](C)CO2)=N1
InChIInChI=1S/C22H26N4O4/c1-11-7-27-19(23-11)15-5-17(21-25-13(3)9-29-21)18(22-26-14(4)10-30-22)6-16(15)20-24-12(2)8-28-20/h5-6,11-14H,7-10H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKeyLJQXRQFYNYJZTB-AAVRWANBSA-N
MW410.47 g/mol
LogP2.35
Rot. Bonds4

About (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102128598) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID102128598
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1COC(c2cc(C3=N[C@H](C)CO3)c(C3=N[C@H](C)CO3)cc2C2=N[C@H](C)CO2)=N1
InChIInChI=1S/C22H26N4O4/c1-11-7-27-19(23-11)15-5-17(21-25-13(3)9-29-21)18(22-26-14(4)10-30-22)6-16(15)20-24-12(2)8-28-20/h5-6,11-14H,7-10H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKeyLJQXRQFYNYJZTB-AAVRWANBSA-N
XLogP2.35
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol
CID 137264882
dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
CID 59093598
2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 22006286
bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane
CID 102387210
(4S)-2-[3,5-bis[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2,4,6-tris(4-methylphenyl)phenyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 102331832
(4R)-2-[3,5-bis[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2,4,6-tris(4-methylphenyl)phenyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 101364196
carbanide;bis(chromium(3+));methylsulfonyl-[2,3,4-trimethyl-6-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;methylsulfonyl-[2,3,4-trimethyl-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide
CID 157240868
2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine
CID 117311370
1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol
CID 117309438
2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 142590984
3-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propanal
CID 117309392
N-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 166437983

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 102128598) is (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is C[C@@H]1COC(c2cc(C3=N[C@H](C)CO3)c(C3=N[C@H](C)CO3)cc2C2=N[C@H](C)CO2)=N1.
What is the InChIKey of (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LJQXRQFYNYJZTB-AAVRWANBSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-11-7-27-19(23-11)15-5-17(21-25-13(3)9-29-21)18(22-26-14(4)10-30-22)6-16(15)20-24-12(2)8-28-20/h5-6,11-14H,7-10H2,1-4H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 410.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102128598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).