5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole

C28H40N2O4 — CID 155247993

IUPAC5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole
SMILESCC(C)c1noc(C2CC2)c1C1CC(CC(C)c2noc(C3CC3)c2C2CCOCC2)CCO1
InChIInChI=1S/C28H40N2O4/c1-16(2)25-24(28(34-29-25)21-6-7-21)22-15-18(8-13-32-22)14-17(3)26-23(19-9-11-31-12-10-19)27(33-30-26)20-4-5-20/h16-22H,4-15H2,1-3H3
InChIKeyDMRLWCQLCJBJTJ-UHFFFAOYSA-N
MW468.64 g/mol
LogP7.10
Rot. Bonds8

About 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole

5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole (PubChem CID 155247993) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole
PubChem CID155247993
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Name5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole
SMILESCC(C)c1noc(C2CC2)c1C1CC(CC(C)c2noc(C3CC3)c2C2CCOCC2)CCO1
InChIInChI=1S/C28H40N2O4/c1-16(2)25-24(28(34-29-25)21-6-7-21)22-15-18(8-13-32-22)14-17(3)26-23(19-9-11-31-12-10-19)27(33-30-26)20-4-5-20/h16-22H,4-15H2,1-3H3
InChIKeyDMRLWCQLCJBJTJ-UHFFFAOYSA-N
XLogP7.10
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole (CID 155247993) is 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole is CC(C)c1noc(C2CC2)c1C1CC(CC(C)c2noc(C3CC3)c2C2CCOCC2)CCO1.
What is the InChIKey of 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole?
The InChIKey is DMRLWCQLCJBJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-16(2)25-24(28(34-29-25)21-6-7-21)22-15-18(8-13-32-22)14-17(3)26-23(19-9-11-31-12-10-19)27(33-30-26)20-4-5-20/h16-22H,4-15H2,1-3H3.
What are the key properties of 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole?
5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole has a molecular weight of 468.64 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-[2-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)oxan-4-yl]propan-2-yl]-4-(oxan-4-yl)-1,2-oxazole is sourced from PubChem (CID 155247993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).