(4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole

C12H15NO — CID 139265666

IUPAC(4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole
SMILESCCC1=N[C@@](C)(c2ccccc2)CO1
InChIInChI=1S/C12H15NO/c1-3-11-13-12(2,9-14-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t12-/m1/s1
InChIKeyGHGUMTPBFKALSC-GFCCVEGCSA-N
MW189.26 g/mol
LogP2.74
Rot. Bonds2

About (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole

(4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole (PubChem CID 139265666) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole
PubChem CID139265666
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole
SMILESCCC1=N[C@@](C)(c2ccccc2)CO1
InChIInChI=1S/C12H15NO/c1-3-11-13-12(2,9-14-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t12-/m1/s1
InChIKeyGHGUMTPBFKALSC-GFCCVEGCSA-N
XLogP2.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole?
The IUPAC name of (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole (CID 139265666) is (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole.
What is the SMILES notation for (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole?
The canonical SMILES for (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole is CCC1=N[C@@](C)(c2ccccc2)CO1.
What is the InChIKey of (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole?
The InChIKey is GHGUMTPBFKALSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-11-13-12(2,9-14-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole?
(4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole is sourced from PubChem (CID 139265666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).