(4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C13H17NO — CID 15316636

IUPAC(4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C13H17NO/c1-9(2)12-8-15-13(14-12)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3/t12-/m1/s1
InChIKeyGWBCAXJRDOOHEB-GFCCVEGCSA-N
MW203.29 g/mol
LogP2.80
Rot. Bonds2

About (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 15316636) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID15316636
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C13H17NO/c1-9(2)12-8-15-13(14-12)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3/t12-/m1/s1
InChIKeyGWBCAXJRDOOHEB-GFCCVEGCSA-N
XLogP2.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 15316636) is (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is Cc1ccc(C2=N[C@@H](C(C)C)CO2)cc1.
What is the InChIKey of (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is GWBCAXJRDOOHEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)12-8-15-13(14-12)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15316636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).