(5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C14H20N2O2 — CID 67060987

IUPAC(5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)(C)c1ccc(OC[C@@H]2CN=C(N)O2)cc1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)10-4-6-11(7-5-10)17-9-12-8-16-13(15)18-12/h4-7,12H,8-9H2,1-3H3,(H2,15,16)/t12-/m0/s1
InChIKeyXBAKLHVTBQUKPI-LBPRGKRZSA-N
MW248.33 g/mol
LogP2.08
Rot. Bonds3

About (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

(5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67060987) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67060987
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)(C)c1ccc(OC[C@@H]2CN=C(N)O2)cc1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)10-4-6-11(7-5-10)17-9-12-8-16-13(15)18-12/h4-7,12H,8-9H2,1-3H3,(H2,15,16)/t12-/m0/s1
InChIKeyXBAKLHVTBQUKPI-LBPRGKRZSA-N
XLogP2.08
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67060022
5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67060111
5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 15337813
5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 14796823
(5S)-5-[[4-(2,3-dimethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine;4-methylbenzenesulfonic acid
CID 158989399
(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
CID 141219157
2-[[4-(4-tert-butylphenyl)sulfonylphenoxy]methyl]oxirane
CID 22346063
2-[(4-tert-butylphenoxy)methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide
CID 138108847
2-[(4-tert-butylphenoxy)methyl]-2H-1,3,4-oxadiazole-5-thione
CID 170924004
2-[[4-[1,1-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]ethyl]phenoxy]methyl]oxirane
CID 90352627
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
(2S)-2-[(4-tert-butylphenoxy)methyl]-6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 51030224

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67060987) is (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(C)(C)c1ccc(OC[C@@H]2CN=C(N)O2)cc1.
What is the InChIKey of (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is XBAKLHVTBQUKPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)10-4-6-11(7-5-10)17-9-12-8-16-13(15)18-12/h4-7,12H,8-9H2,1-3H3,(H2,15,16)/t12-/m0/s1.
What are the key properties of (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67060987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).