(4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole

C14H24N2O2 — CID 154728762

IUPAC(4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H](C)[C@@H]1COC(C2=N[C@H]([C@H](C)CC)CO2)=N1
InChIInChI=1S/C14H24N2O2/c1-5-9(3)11-7-17-13(15-11)14-16-12(8-18-14)10(4)6-2/h9-12H,5-8H2,1-4H3/t9-,10-,11+,12+/m1/s1
InChIKeyRRKVGDPHNBRCMZ-WYUUTHIRSA-N
MW252.36 g/mol
LogP2.67
Rot. Bonds5

About (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole

(4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 154728762) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID154728762
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H](C)[C@@H]1COC(C2=N[C@H]([C@H](C)CC)CO2)=N1
InChIInChI=1S/C14H24N2O2/c1-5-9(3)11-7-17-13(15-11)14-16-12(8-18-14)10(4)6-2/h9-12H,5-8H2,1-4H3/t9-,10-,11+,12+/m1/s1
InChIKeyRRKVGDPHNBRCMZ-WYUUTHIRSA-N
XLogP2.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole (CID 154728762) is (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole is CC[C@@H](C)[C@@H]1COC(C2=N[C@H]([C@H](C)CC)CO2)=N1.
What is the InChIKey of (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RRKVGDPHNBRCMZ-WYUUTHIRSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-9(3)11-7-17-13(15-11)14-16-12(8-18-14)10(4)6-2/h9-12H,5-8H2,1-4H3/t9-,10-,11+,12+/m1/s1.
What are the key properties of (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
(4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 252.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-butan-2-yl]-2-[(4R)-4-[(2R)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154728762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).