(4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine

C5H11ClNOP — CID 59077190

IUPAC(4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine
SMILESC[C@H]1OP(Cl)N(C)[C@H]1C
InChIInChI=1S/C5H11ClNOP/c1-4-5(2)8-9(6)7(4)3/h4-5H,1-3H3/t4-,5+,9?/m0/s1
InChIKeyNGANQKOHMRWOOG-UYLKLXDISA-N
MW167.58 g/mol
LogP2.19
Rot. Bonds

About (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine

(4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine (PubChem CID 59077190) has the molecular formula C5H11ClNOP and a molecular weight of 167.58 g/mol. Its IUPAC name is (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name(4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine
PubChem CID59077190
Molecular FormulaC5H11ClNOP
Molecular Weight167.58 g/mol
Exact Mass167.03
IUPAC Name(4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine
SMILESC[C@H]1OP(Cl)N(C)[C@H]1C
InChIInChI=1S/C5H11ClNOP/c1-4-5(2)8-9(6)7(4)3/h4-5H,1-3H3/t4-,5+,9?/m0/s1
InChIKeyNGANQKOHMRWOOG-UYLKLXDISA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.58
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine?
The IUPAC name of (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine (CID 59077190) is (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine?
The canonical SMILES for (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine is C[C@H]1OP(Cl)N(C)[C@H]1C.
What is the InChIKey of (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine?
The InChIKey is NGANQKOHMRWOOG-UYLKLXDISA-N. The full InChI is InChI=1S/C5H11ClNOP/c1-4-5(2)8-9(6)7(4)3/h4-5H,1-3H3/t4-,5+,9?/m0/s1.
What are the key properties of (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine?
(4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine has a molecular weight of 167.58 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-chloro-3,4,5-trimethyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 59077190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).