(1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol

C15H19FN2O2 — CID 154985497

IUPAC(1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol
SMILESOC(N1OCC[C@H]1c1ccc(F)nc1)C1(C2CC2)CC1
InChIInChI=1S/C15H19FN2O2/c16-13-4-1-10(9-17-13)12-5-8-20-18(12)14(19)15(6-7-15)11-2-3-11/h1,4,9,11-12,14,19H,2-3,5-8H2/t12-,14?/m0/s1
InChIKeyAKSWOJCDRPONAC-NBFOIZRFSA-N
MW278.33 g/mol
LogP2.41
Rot. Bonds4

About (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol

(1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol (PubChem CID 154985497) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol.

Molecular Properties

Compound Name(1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol
PubChem CID154985497
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol
SMILESOC(N1OCC[C@H]1c1ccc(F)nc1)C1(C2CC2)CC1
InChIInChI=1S/C15H19FN2O2/c16-13-4-1-10(9-17-13)12-5-8-20-18(12)14(19)15(6-7-15)11-2-3-11/h1,4,9,11-12,14,19H,2-3,5-8H2/t12-,14?/m0/s1
InChIKeyAKSWOJCDRPONAC-NBFOIZRFSA-N
XLogP2.41
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960091
[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960092
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
1-Nitroso-5-pyridin-3-ylpyrrolidin-3-ol
CID 12613536
3-(1,2-Oxazolidin-3-yl)pyridine
CID 22748551
3-Amino-2,2-dimethyl-3-(pyridin-3-yl)propan-1-ol
CID 119031821
3-(6-Fluoropyridin-3-yl)propan-1-ol
CID 19082064
3-(4-Fluoro-1-oxidopyridin-1-ium-3-yl)-2-iminopropan-1-ol
CID 88382046
3-(6-Fluoro-1-oxidopyridin-1-ium-3-yl)-2-iminopropan-1-ol
CID 88382090
3-(2-Fluoro-1-oxidopyridin-1-ium-3-yl)-2-iminopropan-1-ol
CID 88382221
(2S,3R)-1-[3-(6-fluoro-3-pyridinyl)propyl]-2-(hydroxymethyl)pyrrolidin-3-ol
CID 90061282
1-[3-(6-Fluoro-3-pyridinyl)propyl]-2-(hydroxymethyl)pyrrolidin-3-ol
CID 123901846

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol?
The IUPAC name of (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol (CID 154985497) is (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol.
What is the SMILES notation for (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol?
The canonical SMILES for (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol is OC(N1OCC[C@H]1c1ccc(F)nc1)C1(C2CC2)CC1.
What is the InChIKey of (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol?
The InChIKey is AKSWOJCDRPONAC-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-13-4-1-10(9-17-13)12-5-8-20-18(12)14(19)15(6-7-15)11-2-3-11/h1,4,9,11-12,14,19H,2-3,5-8H2/t12-,14?/m0/s1.
What are the key properties of (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol?
(1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol has a molecular weight of 278.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylcyclopropyl)-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanol is sourced from PubChem (CID 154985497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).