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

C22H30N2O4 — CID 10572225

IUPAC(4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC([C@@H]2OC(C)(c3ccccc3)O[C@H]2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C22H30N2O4/c1-13(2)16-11-25-20(23-16)18-19(21-24-17(12-26-21)14(3)4)28-22(5,27-18)15-9-7-6-8-10-15/h6-10,13-14,16-19H,11-12H2,1-5H3/t16-,17-,18-,19-/m1/s1
InChIKeyKCHMOQVMRZXXSD-NCXUSEDFSA-N
MW386.49 g/mol
LogP3.55
Rot. Bonds5

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

(4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10572225) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID10572225
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name(4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC([C@@H]2OC(C)(c3ccccc3)O[C@H]2C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C22H30N2O4/c1-13(2)16-11-25-20(23-16)18-19(21-24-17(12-26-21)14(3)4)28-22(5,27-18)15-9-7-6-8-10-15/h6-10,13-14,16-19H,11-12H2,1-5H3/t16-,17-,18-,19-/m1/s1
InChIKeyKCHMOQVMRZXXSD-NCXUSEDFSA-N
XLogP3.55
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3aR,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole
CID 398124
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate
CID 123721990
(4S)-2-[(2S,3R)-2-methyl-3-phenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11322544
(2R,3R,4R)-4-(methoxymethoxy)-1-oxido-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 11462881
2-ethoxy-2,4-dimethoxy-5-phenyl-5H-1,3-oxazole
CID 12341433
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(prop-2-enoxymethyl)-4,5-dihydro-1,3-oxazole
CID 13397309
(4S,5S)-2-[[(E)-but-2-enoxy]methyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 13397311
(4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 73293281
(4S)-2-[(2S,3R)-3-phenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101267687
[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
CID 101421162
(4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole
CID 102303168
1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-N-methylmethanimine oxide
CID 134924671

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 10572225) is (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC([C@@H]2OC(C)(c3ccccc3)O[C@H]2C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is KCHMOQVMRZXXSD-NCXUSEDFSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-13(2)16-11-25-20(23-16)18-19(21-24-17(12-26-21)14(3)4)28-22(5,27-18)15-9-7-6-8-10-15/h6-10,13-14,16-19H,11-12H2,1-5H3/t16-,17-,18-,19-/m1/s1.
What are the key properties of (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 386.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(4R,5R)-2-methyl-2-phenyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dioxolan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10572225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).