(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C20H23FN2O3 — CID 25071432

IUPAC(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1cc(CF)n2c(n1)O[C@H](COc1ccc(C3CCCCC3)cc1)C2
InChIInChI=1S/C20H23FN2O3/c21-11-16-10-19(24)22-20-23(16)12-18(26-20)13-25-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h6-10,14,18H,1-5,11-13H2/t18-/m0/s1
InChIKeyURMVVKVJMVROQY-SFHVURJKSA-N
MW358.41 g/mol
LogP3.60
Rot. Bonds5

About (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 25071432) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID25071432
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1cc(CF)n2c(n1)O[C@H](COc1ccc(C3CCCCC3)cc1)C2
InChIInChI=1S/C20H23FN2O3/c21-11-16-10-19(24)22-20-23(16)12-18(26-20)13-25-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h6-10,14,18H,1-5,11-13H2/t18-/m0/s1
InChIKeyURMVVKVJMVROQY-SFHVURJKSA-N
XLogP3.60
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 25071432) is (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is O=c1cc(CF)n2c(n1)O[C@H](COc1ccc(C3CCCCC3)cc1)C2.
What is the InChIKey of (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is URMVVKVJMVROQY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-11-16-10-19(24)22-20-23(16)12-18(26-20)13-25-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h6-10,14,18H,1-5,11-13H2/t18-/m0/s1.
What are the key properties of (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 358.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 25071432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).