(2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C17H20N2O3 — CID 25073615

IUPAC(2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1
InChIInChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyGMUXAWMMLAEBKV-AWEZNQCLSA-N
MW300.36 g/mol
LogP2.38
Rot. Bonds3

About (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

(2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 25073615) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID25073615
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1
InChIInChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyGMUXAWMMLAEBKV-AWEZNQCLSA-N
XLogP2.38
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(4-tert-butylphenoxy)methyl]-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
(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
7-[(4-tert-butylphenoxy)methyl]-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16009314
(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
(S)-2-(4-Cyclohexyl-phenoxymethyl)-5-(1-fluoro-1-methyl-ethyl)-2,3-dihydro-oxazolo-[3,2-a]pyrimidin-7-one
CID 25071434
2-(4-Fluorophenoxymethyl)-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-one
CID 25072378

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 25073615) is (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1.
What is the InChIKey of (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is GMUXAWMMLAEBKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
(2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 300.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 25073615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).