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

C30H42N4O4 — CID 134943378

IUPAC(4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1N=C(c2cc(C3=N[C@@H](C(C)C)CO3)c(C3=N[C@@H](C(C)C)CO3)cc2C2=N[C@@H](C(C)C)OC2)CO1
InChIInChI=1S/C30H42N4O4/c1-15(2)23-11-37-29(31-23)21-9-19(25-13-35-27(33-25)17(5)6)20(26-14-36-28(34-26)18(7)8)10-22(21)30-32-24(12-38-30)16(3)4/h9-10,15-18,23-24,27-28H,11-14H2,1-8H3/t23-,24-,27-,28-/m1/s1
InChIKeyVFFIDFCUVGQDKK-NFFAYCCRSA-N
MW522.69 g/mol
LogP4.89
Rot. Bonds8

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

(4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 134943378) has the molecular formula C30H42N4O4 and a molecular weight of 522.69 g/mol. Its IUPAC name is (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID134943378
Molecular FormulaC30H42N4O4
Molecular Weight522.69 g/mol
Exact Mass522.32
IUPAC Name(4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1N=C(c2cc(C3=N[C@@H](C(C)C)CO3)c(C3=N[C@@H](C(C)C)CO3)cc2C2=N[C@@H](C(C)C)OC2)CO1
InChIInChI=1S/C30H42N4O4/c1-15(2)23-11-37-29(31-23)21-9-19(25-13-35-27(33-25)17(5)6)20(26-14-36-28(34-26)18(7)8)10-22(21)30-32-24(12-38-30)16(3)4/h9-10,15-18,23-24,27-28H,11-14H2,1-8H3/t23-,24-,27-,28-/m1/s1
InChIKeyVFFIDFCUVGQDKK-NFFAYCCRSA-N
XLogP4.89
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

(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
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)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 24823047
4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 175669378
(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-[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
(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
CID 127262930
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
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
CID 177418004
chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene
CID 135490448
CID 10905633
CID 10905633

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 134943378) is (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@@H]1N=C(c2cc(C3=N[C@@H](C(C)C)CO3)c(C3=N[C@@H](C(C)C)CO3)cc2C2=N[C@@H](C(C)C)OC2)CO1.
What is the InChIKey of (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is VFFIDFCUVGQDKK-NFFAYCCRSA-N. The full InChI is InChI=1S/C30H42N4O4/c1-15(2)23-11-37-29(31-23)21-9-19(25-13-35-27(33-25)17(5)6)20(26-14-36-28(34-26)18(7)8)10-22(21)30-32-24(12-38-30)16(3)4/h9-10,15-18,23-24,27-28H,11-14H2,1-8H3/t23-,24-,27-,28-/m1/s1.
What are the key properties of (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 522.69 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[4,5-bis[(2R)-2-propan-2-yl-2,5-dihydro-1,3-oxazol-4-yl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134943378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).