(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole

C15H21NO — CID 12025113

IUPAC(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(CCc2ccccc2)=N1
InChIInChI=1S/C15H21NO/c1-15(2,3)13-11-17-14(16-13)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyAPBXBPBNLNINCA-CYBMUJFWSA-N
MW231.34 g/mol
LogP3.46
Rot. Bonds3

About (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 12025113) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID12025113
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(CCc2ccccc2)=N1
InChIInChI=1S/C15H21NO/c1-15(2,3)13-11-17-14(16-13)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyAPBXBPBNLNINCA-CYBMUJFWSA-N
XLogP3.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole (CID 12025113) is (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(CCc2ccccc2)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is APBXBPBNLNINCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)13-11-17-14(16-13)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12025113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).