N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide

C19H26FNO3 — CID 125138903

IUPACN-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
SMILESO=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CCOCC1
InChIInChI=1S/C19H26FNO3/c20-16-5-3-14(4-6-16)12-19(9-1-2-17(19)22)13-21-18(23)15-7-10-24-11-8-15/h3-6,15,17,22H,1-2,7-13H2,(H,21,23)/t17-,19+/m1/s1
InChIKeyOUMULTUFFWMCJV-MJGOQNOKSA-N
MW335.42 g/mol
LogP2.44
Rot. Bonds5

About N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide

N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide (PubChem CID 125138903) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
PubChem CID125138903
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
SMILESO=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CCOCC1
InChIInChI=1S/C19H26FNO3/c20-16-5-3-14(4-6-16)12-19(9-1-2-17(19)22)13-21-18(23)15-7-10-24-11-8-15/h3-6,15,17,22H,1-2,7-13H2,(H,21,23)/t17-,19+/m1/s1
InChIKeyOUMULTUFFWMCJV-MJGOQNOKSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide (CID 125138903) is N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide is O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CCOCC1.
What is the InChIKey of N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide?
The InChIKey is OUMULTUFFWMCJV-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H26FNO3/c20-16-5-3-14(4-6-16)12-19(9-1-2-17(19)22)13-21-18(23)15-7-10-24-11-8-15/h3-6,15,17,22H,1-2,7-13H2,(H,21,23)/t17-,19+/m1/s1.
What are the key properties of N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide?
N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 125138903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).