(4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole

C21H38N2O2 — CID 18345499

IUPAC(4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCCC1(CC)OC(CC2=N[C@H](C(C)C)C(CC)(CC)O2)=N[C@@H]1C(C)C
InChIInChI=1S/C21H38N2O2/c1-9-20(10-2)18(14(5)6)22-16(24-20)13-17-23-19(15(7)8)21(11-3,12-4)25-17/h14-15,18-19H,9-13H2,1-8H3/t18-,19-/m1/s1
InChIKeyNGCYNWXAJZATQA-RTBURBONSA-N
MW350.55 g/mol
LogP5.40
Rot. Bonds8

About (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole

(4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole (PubChem CID 18345499) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole
PubChem CID18345499
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name(4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCCC1(CC)OC(CC2=N[C@H](C(C)C)C(CC)(CC)O2)=N[C@@H]1C(C)C
InChIInChI=1S/C21H38N2O2/c1-9-20(10-2)18(14(5)6)22-16(24-20)13-17-23-19(15(7)8)21(11-3,12-4)25-17/h14-15,18-19H,9-13H2,1-8H3/t18-,19-/m1/s1
InChIKeyNGCYNWXAJZATQA-RTBURBONSA-N
XLogP5.40
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole?
The IUPAC name of (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole (CID 18345499) is (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole.
What is the SMILES notation for (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole?
The canonical SMILES for (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole is CCC1(CC)OC(CC2=N[C@H](C(C)C)C(CC)(CC)O2)=N[C@@H]1C(C)C.
What is the InChIKey of (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole?
The InChIKey is NGCYNWXAJZATQA-RTBURBONSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-9-20(10-2)18(14(5)6)22-16(24-20)13-17-23-19(15(7)8)21(11-3,12-4)25-17/h14-15,18-19H,9-13H2,1-8H3/t18-,19-/m1/s1.
What are the key properties of (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole?
(4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole has a molecular weight of 350.55 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole is sourced from PubChem (CID 18345499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).