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

C19H31N3O3 — CID 134866225

IUPAC(4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C)CO2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C19H31N3O3/c1-11(2)14-9-23-16(21-14)7-19(6,17-20-13(5)8-24-17)18-22-15(10-25-18)12(3)4/h11-15H,7-10H2,1-6H3/t13-,14+,15+,19?/m0/s1
InChIKeyPWKHCGACZICKGN-MGSRSASNSA-N
MW349.48 g/mol
LogP3.11
Rot. Bonds6

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

(4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 134866225) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID134866225
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C)CO2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C19H31N3O3/c1-11(2)14-9-23-16(21-14)7-19(6,17-20-13(5)8-24-17)18-22-15(10-25-18)12(3)4/h11-15H,7-10H2,1-6H3/t13-,14+,15+,19?/m0/s1
InChIKeyPWKHCGACZICKGN-MGSRSASNSA-N
XLogP3.11
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

t-Bu-box, (S,S)-
CID 688208
2,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]
CID 688207
t-Bu-box, (R,R)-
CID 688210
4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495276
Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane
CID 688205
(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
CID 10880944
2,2-Bis((4S)-(-)-4-isopropyloxazoline)propane
CID 11821563
Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methane
CID 10955621
1,2,2-Tris((S)-4-isopropyl-4,5-dihydro-2-oxazolyl)propane
CID 11485737
4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 372806
4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495275
4-Tert-butyl-2-[(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 3479933

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole (CID 134866225) is (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C)CO2)C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PWKHCGACZICKGN-MGSRSASNSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-11(2)14-9-23-16(21-14)7-19(6,17-20-13(5)8-24-17)18-22-15(10-25-18)12(3)4/h11-15H,7-10H2,1-6H3/t13-,14+,15+,19?/m0/s1.
What are the key properties of (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 349.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134866225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).