(4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole

C8H15NO — CID 10844474

IUPAC(4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC[C@H]1N=C(C)O[C@@H]1CC
InChIInChI=1S/C8H15NO/c1-4-7-8(5-2)10-6(3)9-7/h7-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyRVBAFEHAHFBYQG-HTQZYQBOSA-N
MW141.21 g/mol
LogP1.99
Rot. Bonds2

About (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole

(4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 10844474) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID10844474
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC[C@H]1N=C(C)O[C@@H]1CC
InChIInChI=1S/C8H15NO/c1-4-7-8(5-2)10-6(3)9-7/h7-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyRVBAFEHAHFBYQG-HTQZYQBOSA-N
XLogP1.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole (CID 10844474) is (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole is CC[C@H]1N=C(C)O[C@@H]1CC.
What is the InChIKey of (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is RVBAFEHAHFBYQG-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-8(5-2)10-6(3)9-7/h7-8H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole?
(4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10844474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).