2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine

C15H20N2O — CID 139716124

IUPAC2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
SMILESCC(C)(C)[C@H]1COC(C=C(N)c2ccccc2)=N1
InChIInChI=1S/C15H20N2O/c1-15(2,3)13-10-18-14(17-13)9-12(16)11-7-5-4-6-8-11/h4-9,13H,10,16H2,1-3H3/t13-/m1/s1
InChIKeyRJLFMSVMCCJZEW-CYBMUJFWSA-N
MW244.34 g/mol
LogP2.83
Rot. Bonds2

About 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine

2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine (PubChem CID 139716124) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine.

Molecular Properties

Compound Name2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
PubChem CID139716124
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
SMILESCC(C)(C)[C@H]1COC(C=C(N)c2ccccc2)=N1
InChIInChI=1S/C15H20N2O/c1-15(2,3)13-10-18-14(17-13)9-12(16)11-7-5-4-6-8-11/h4-9,13H,10,16H2,1-3H3/t13-/m1/s1
InChIKeyRJLFMSVMCCJZEW-CYBMUJFWSA-N
XLogP2.83
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
CID 155718667
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
2-(m-Aminostyryl)-2-oxazoline
CID 6474157
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-(1-phenylethyl)prop-1-en-2-amine
CID 10850598
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
CID 15421797
(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
CID 101241172
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1R)-1-phenylethyl]prop-1-en-2-amine
CID 102061812
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
CID 102061813
methyl (E)-2-amino-N-[1-(2-fluorophenyl)ethenyl]-3-methyl-5-propyloct-2-enimidate
CID 143824001
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-(1-phenylethyl)ethenamine
CID 10637407
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine
CID 10730783
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
CID 13326607

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine?
The IUPAC name of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine (CID 139716124) is 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine.
What is the SMILES notation for 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine?
The canonical SMILES for 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine is CC(C)(C)[C@H]1COC(C=C(N)c2ccccc2)=N1.
What is the InChIKey of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine?
The InChIKey is RJLFMSVMCCJZEW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)13-10-18-14(17-13)9-12(16)11-7-5-4-6-8-11/h4-9,13H,10,16H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine?
2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine has a molecular weight of 244.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine is sourced from PubChem (CID 139716124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).