(4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole

C35H38N2O3 — CID 16753894

IUPAC(4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C)c(C2=c3ccc(=C(C4=N[C@@H](C(C)C)CO4)C4=N[C@@H](C(C)C)CO4)cc3Oc3ccccc32)c(C)c1
InChIInChI=1S/C35H38N2O3/c1-19(2)27-17-38-34(36-27)32(35-37-28(18-39-35)20(3)4)24-12-13-26-30(16-24)40-29-11-9-8-10-25(29)33(26)31-22(6)14-21(5)15-23(31)7/h8-16,19-20,27-28H,17-18H2,1-7H3/t27-,28-/m1/s1
InChIKeyDPIVZDRIXGEUTM-VSGBNLITSA-N
MW534.70 g/mol
LogP6.02
Rot. Bonds5

About (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 16753894) has the molecular formula C35H38N2O3 and a molecular weight of 534.70 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID16753894
Molecular FormulaC35H38N2O3
Molecular Weight534.70 g/mol
Exact Mass534.29
IUPAC Name(4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C)c(C2=c3ccc(=C(C4=N[C@@H](C(C)C)CO4)C4=N[C@@H](C(C)C)CO4)cc3Oc3ccccc32)c(C)c1
InChIInChI=1S/C35H38N2O3/c1-19(2)27-17-38-34(36-27)32(35-37-28(18-39-35)20(3)4)24-12-13-26-30(16-24)40-29-11-9-8-10-25(29)33(26)31-22(6)14-21(5)15-23(31)7/h8-16,19-20,27-28H,17-18H2,1-7H3/t27-,28-/m1/s1
InChIKeyDPIVZDRIXGEUTM-VSGBNLITSA-N
XLogP6.02
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole (CID 16753894) is (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole is Cc1cc(C)c(C2=c3ccc(=C(C4=N[C@@H](C(C)C)CO4)C4=N[C@@H](C(C)C)CO4)cc3Oc3ccccc32)c(C)c1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DPIVZDRIXGEUTM-VSGBNLITSA-N. The full InChI is InChI=1S/C35H38N2O3/c1-19(2)27-17-38-34(36-27)32(35-37-28(18-39-35)20(3)4)24-12-13-26-30(16-24)40-29-11-9-8-10-25(29)33(26)31-22(6)14-21(5)15-23(31)7/h8-16,19-20,27-28H,17-18H2,1-7H3/t27-,28-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 534.70 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 16753894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).