(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine

C17H22N2O2 — CID 141219157

IUPAC(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
SMILESCC(C)(C)c1ccc(OC[C@@H]2CN3CC=CN=C3O2)cc1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)13-5-7-14(8-6-13)20-12-15-11-19-10-4-9-18-16(19)21-15/h4-9,15H,10-12H2,1-3H3/t15-/m0/s1
InChIKeyHDWURWQVRJHDAP-HNNXBMFYSA-N
MW286.38 g/mol
LogP2.95
Rot. Bonds3

About (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine

(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine (PubChem CID 141219157) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
PubChem CID141219157
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
SMILESCC(C)(C)c1ccc(OC[C@@H]2CN3CC=CN=C3O2)cc1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)13-5-7-14(8-6-13)20-12-15-11-19-10-4-9-18-16(19)21-15/h4-9,15H,10-12H2,1-3H3/t15-/m0/s1
InChIKeyHDWURWQVRJHDAP-HNNXBMFYSA-N
XLogP2.95
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine with MolForge

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Related Compounds

(2S)-2-[(4-tert-butylphenoxy)methyl]-6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 51030224
2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060970
(13S)-13-[(4-tert-butylphenoxy)methyl]-14-oxa-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,15-hexaene
CID 44512222
2-[(4-tert-butylphenoxy)methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide
CID 138108847
(5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67060987
(2S)-2-[(4-tert-butylphenoxy)methyl]-6-methoxy-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole
CID 44512401
5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580198
(2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
CID 141219150
(2S)-2-[2-[(6-methyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
CID 141287558
2-[[4-(4-tert-butylphenyl)sulfonylphenoxy]methyl]oxirane
CID 22346063
2-[(4-tert-butylphenoxy)methyl]-2H-1,3,4-oxadiazole-5-thione
CID 170924004
3-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane
CID 57018133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The IUPAC name of (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine (CID 141219157) is (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine.
What is the SMILES notation for (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The canonical SMILES for (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine is CC(C)(C)c1ccc(OC[C@@H]2CN3CC=CN=C3O2)cc1.
What is the InChIKey of (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The InChIKey is HDWURWQVRJHDAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)13-5-7-14(8-6-13)20-12-15-11-19-10-4-9-18-16(19)21-15/h4-9,15H,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine has a molecular weight of 286.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine is sourced from PubChem (CID 141219157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).