(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C13H17NO — CID 66998047

IUPAC(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C13H17NO/c1-10(2)8-12-9-15-13(14-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyBBXKTHJBMAKNFZ-LBPRGKRZSA-N
MW203.29 g/mol
LogP2.88
Rot. Bonds3

About (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole

(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 66998047) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID66998047
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C13H17NO/c1-10(2)8-12-9-15-13(14-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyBBXKTHJBMAKNFZ-LBPRGKRZSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 66998047) is (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole is CC(C)C[C@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BBXKTHJBMAKNFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)8-12-9-15-13(14-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 66998047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).