(4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine

C9H19NO — CID 91064599

IUPAC(4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine
SMILESCC[C@@H](C)[C@H]1COC(C)(C)N1
InChIInChI=1S/C9H19NO/c1-5-7(2)8-6-11-9(3,4)10-8/h7-8,10H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyNFMQGQMCNWXWEU-HTQZYQBOSA-N
MW157.26 g/mol
LogP1.76
Rot. Bonds2

About (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine

(4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine (PubChem CID 91064599) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine
PubChem CID91064599
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine
SMILESCC[C@@H](C)[C@H]1COC(C)(C)N1
InChIInChI=1S/C9H19NO/c1-5-7(2)8-6-11-9(3,4)10-8/h7-8,10H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyNFMQGQMCNWXWEU-HTQZYQBOSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine (CID 91064599) is (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine is CC[C@@H](C)[C@H]1COC(C)(C)N1.
What is the InChIKey of (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is NFMQGQMCNWXWEU-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(2)8-6-11-9(3,4)10-8/h7-8,10H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine?
(4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 91064599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).