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

C22H27FN2O3 — CID 25071434

IUPAC(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(F)c1cc(=O)nc2n1C[C@@H](COc1ccc(C3CCCCC3)cc1)O2
InChIInChI=1S/C22H27FN2O3/c1-22(2,23)19-12-20(26)24-21-25(19)13-18(28-21)14-27-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-12,15,18H,3-7,13-14H2,1-2H3/t18-/m0/s1
InChIKeyPXYBQNRUAOMRHL-SFHVURJKSA-N
MW386.47 g/mol
LogP4.34
Rot. Bonds5

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

(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 25071434) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID25071434
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(F)c1cc(=O)nc2n1C[C@@H](COc1ccc(C3CCCCC3)cc1)O2
InChIInChI=1S/C22H27FN2O3/c1-22(2,23)19-12-20(26)24-21-25(19)13-18(28-21)14-27-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-12,15,18H,3-7,13-14H2,1-2H3/t18-/m0/s1
InChIKeyPXYBQNRUAOMRHL-SFHVURJKSA-N
XLogP4.34
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one with MolForge

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Related Compounds

(2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060124
(2S)-2-[[4-(2,3-dimethylphenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 25073303
(S)-2-(4-tert-butyl-phenoxymethyl)-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-one
CID 25073615
(2S)-2-[[4-(2,3-dimethylphenyl)phenoxy]methyl]-6-ethyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 50992248
(2S)-2-[(1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 51030965
(2S)-2-[[4-(2,3-dimethylphenyl)phenoxy]methyl]-5-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060140
(2S)-2-[[4-(2,3-dimethylphenyl)phenoxy]methyl]-6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060162
(s)-2-(1,1-Dimethyl-indan-5-yloxymethyl)-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-one
CID 67053797
2-(4-Cyclohexyl-phenoxymethyl)-5-trifluoromethyl-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-one
CID 25070793
(S)-2-(4-cyclohexyl-phenoxymethyl)-5-fluoromethyl-2,3-dihydro-oxazolo[3,2 a]-pyrimidin-7-one
CID 25071432
2-[[4-(Trifluoromethyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 25072379
2-[(4-Tert-butylphenoxy)methyl]-5-(fluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 25073308

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 25071434) is (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CC(C)(F)c1cc(=O)nc2n1C[C@@H](COc1ccc(C3CCCCC3)cc1)O2.
What is the InChIKey of (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is PXYBQNRUAOMRHL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-22(2,23)19-12-20(26)24-21-25(19)13-18(28-21)14-27-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-12,15,18H,3-7,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 386.47 g/mol, XLogP of 4.34, 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-(2-fluoropropan-2-yl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 25071434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).