(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine

C10H14FN3O — CID 89479060

IUPAC(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)[C@H]1COCN1c1ccnc(F)n1
InChIInChI=1S/C10H14FN3O/c1-7(2)8-5-15-6-14(8)9-3-4-12-10(11)13-9/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyDLOGZKKGKKWDLN-MRVPVSSYSA-N
MW211.24 g/mol
LogP1.43
Rot. Bonds2

About (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine

(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine (PubChem CID 89479060) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine
PubChem CID89479060
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)[C@H]1COCN1c1ccnc(F)n1
InChIInChI=1S/C10H14FN3O/c1-7(2)8-5-15-6-14(8)9-3-4-12-10(11)13-9/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyDLOGZKKGKKWDLN-MRVPVSSYSA-N
XLogP1.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine?
The IUPAC name of (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine (CID 89479060) is (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine is CC(C)[C@H]1COCN1c1ccnc(F)n1.
What is the InChIKey of (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine?
The InChIKey is DLOGZKKGKKWDLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7(2)8-5-15-6-14(8)9-3-4-12-10(11)13-9/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine?
(4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine has a molecular weight of 211.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 89479060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).