2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole

C15H19FN2O — CID 126581774

IUPAC2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(CC[C@H](C)c2ccnc(F)c2)o1
InChIInChI=1S/C15H19FN2O/c1-10(2)13-9-18-15(19-13)5-4-11(3)12-6-7-17-14(16)8-12/h6-11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyDEVHVLWGAZMKSB-NSHDSACASA-N
MW262.33 g/mol
LogP4.07
Rot. Bonds5

About 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole

2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole (PubChem CID 126581774) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole
PubChem CID126581774
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(CC[C@H](C)c2ccnc(F)c2)o1
InChIInChI=1S/C15H19FN2O/c1-10(2)13-9-18-15(19-13)5-4-11(3)12-6-7-17-14(16)8-12/h6-11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyDEVHVLWGAZMKSB-NSHDSACASA-N
XLogP4.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole (CID 126581774) is 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole is CC(C)c1cnc(CC[C@H](C)c2ccnc(F)c2)o1.
What is the InChIKey of 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole?
The InChIKey is DEVHVLWGAZMKSB-NSHDSACASA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(2)13-9-18-15(19-13)5-4-11(3)12-6-7-17-14(16)8-12/h6-11H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole?
2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole has a molecular weight of 262.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(2-fluoro-4-pyridinyl)butyl]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 126581774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).