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

C22H37N3O3 — CID 15896844

IUPAC(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CC(CC2=N[C@@H](C(C)C)CO2)CC2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C22H37N3O3/c1-13(2)17-10-26-20(23-17)7-16(8-21-24-18(11-27-21)14(3)4)9-22-25-19(12-28-22)15(5)6/h13-19H,7-12H2,1-6H3/t17-,18-,19-/m1/s1
InChIKeyFWKZRUTZWMIMCY-GUDVDZBRSA-N
MW391.56 g/mol
LogP4.13
Rot. Bonds9

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

(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole (PubChem CID 15896844) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
PubChem CID15896844
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CC(CC2=N[C@@H](C(C)C)CO2)CC2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C22H37N3O3/c1-13(2)17-10-26-20(23-17)7-16(8-21-24-18(11-27-21)14(3)4)9-22-25-19(12-28-22)15(5)6/h13-19H,7-12H2,1-6H3/t17-,18-,19-/m1/s1
InChIKeyFWKZRUTZWMIMCY-GUDVDZBRSA-N
XLogP4.13
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole
CID 134830566
(4S)-2-[1,2-bis[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-butan-2-yl-4,5-dihydro-1,3-oxazole
CID 11396024
2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
CID 20036726
2-[3-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 57025825
2-[3-(4,5-Dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole
CID 57055580
2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 57062954
4-Methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole
CID 57081592
2-[3-(4,5-Dihydro-1,3-oxazol-2-yl)butyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 57128283
2-[3-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 57153937
2-[4-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 57218866
4-Methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57235410
2-[1,3-Bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57244596

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole (CID 15896844) is (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(CC(CC2=N[C@@H](C(C)C)CO2)CC2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FWKZRUTZWMIMCY-GUDVDZBRSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-13(2)17-10-26-20(23-17)7-16(8-21-24-18(11-27-21)14(3)4)9-22-25-19(12-28-22)15(5)6/h13-19H,7-12H2,1-6H3/t17-,18-,19-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 391.56 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15896844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).