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

C23H39N3O3 — CID 73294010

IUPAC(4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C(C)(C)C)CO2)C2=N[C@@H](C(C)(C)C)CO2)=N1
InChIInChI=1S/C23H39N3O3/c1-14(2)15-11-27-18(24-15)10-23(9,19-25-16(12-28-19)21(3,4)5)20-26-17(13-29-20)22(6,7)8/h14-17H,10-13H2,1-9H3/t15-,16-,17-/m1/s1
InChIKeyCAHKZBCQJAFRLG-BRWVUGGUSA-N
MW405.58 g/mol
LogP4.52
Rot. Bonds5

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

(4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 73294010) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is (4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID73294010
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Name(4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C(C)(C)C)CO2)C2=N[C@@H](C(C)(C)C)CO2)=N1
InChIInChI=1S/C23H39N3O3/c1-14(2)15-11-27-18(24-15)10-23(9,19-25-16(12-28-19)21(3,4)5)20-26-17(13-29-20)22(6,7)8/h14-17H,10-13H2,1-9H3/t15-,16-,17-/m1/s1
InChIKeyCAHKZBCQJAFRLG-BRWVUGGUSA-N
XLogP4.52
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 73294010) is (4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(CC(C)(C2=N[C@@H](C(C)(C)C)CO2)C2=N[C@@H](C(C)(C)C)CO2)=N1.
What is the InChIKey of (4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is CAHKZBCQJAFRLG-BRWVUGGUSA-N. The full InChI is InChI=1S/C23H39N3O3/c1-14(2)15-11-27-18(24-15)10-23(9,19-25-16(12-28-19)21(3,4)5)20-26-17(13-29-20)22(6,7)8/h14-17H,10-13H2,1-9H3/t15-,16-,17-/m1/s1.
What are the key properties of (4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 405.58 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2,2-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 73294010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).