[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate

C19H27FN2O4 — CID 140572023

IUPAC[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(Oc2ncc(F)cc2C2CCOCC2)C1
InChIInChI=1S/C19H27FN2O4/c1-19(2,3)22-18(23)26-15-9-14(10-15)25-17-16(8-13(20)11-21-17)12-4-6-24-7-5-12/h8,11-12,14-15H,4-7,9-10H2,1-3H3,(H,22,23)
InChIKeyOPFFZMAXLZXJMM-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.55
Rot. Bonds4

About [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate

[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate (PubChem CID 140572023) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
PubChem CID140572023
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(Oc2ncc(F)cc2C2CCOCC2)C1
InChIInChI=1S/C19H27FN2O4/c1-19(2,3)22-18(23)26-15-9-14(10-15)25-17-16(8-13(20)11-21-17)12-4-6-24-7-5-12/h8,11-12,14-15H,4-7,9-10H2,1-3H3,(H,22,23)
InChIKeyOPFFZMAXLZXJMM-UHFFFAOYSA-N
XLogP3.55
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
CID 123312806
1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone
CID 58548552
5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
CID 118394075
[3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate
CID 165144307
5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
CID 125491947
(3-sulfanylcyclobutyl) N-tert-butylcarbamate
CID 165144304
6-cyclobutyloxy-5-cyclopropylpyridine-3-carboxylic acid
CID 89444053
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534
1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58547887
(3-ethoxycyclopentyl) N-tert-butylcarbamate
CID 162785975
[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174550196
methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
CID 114194866

Frequently Asked Questions

What is the IUPAC name of [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate (CID 140572023) is [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CC(Oc2ncc(F)cc2C2CCOCC2)C1.
What is the InChIKey of [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate?
The InChIKey is OPFFZMAXLZXJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-19(2,3)22-18(23)26-15-9-14(10-15)25-17-16(8-13(20)11-21-17)12-4-6-24-7-5-12/h8,11-12,14-15H,4-7,9-10H2,1-3H3,(H,22,23).
What are the key properties of [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate?
[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate has a molecular weight of 366.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 140572023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).