(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate

C14H15NO3 — CID 90736452

IUPAC(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
SMILESCCCC(=O)Oc1oc(-c2ccccc2)nc1C
InChIInChI=1S/C14H15NO3/c1-3-7-12(16)17-14-10(2)15-13(18-14)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyMVYYHUGMGYPDKE-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.36
Rot. Bonds4

About (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate

(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate (PubChem CID 90736452) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
PubChem CID90736452
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
SMILESCCCC(=O)Oc1oc(-c2ccccc2)nc1C
InChIInChI=1S/C14H15NO3/c1-3-7-12(16)17-14-10(2)15-13(18-14)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyMVYYHUGMGYPDKE-UHFFFAOYSA-N
XLogP3.36
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate?
The IUPAC name of (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate (CID 90736452) is (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate?
The canonical SMILES for (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate is CCCC(=O)Oc1oc(-c2ccccc2)nc1C.
What is the InChIKey of (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate?
The InChIKey is MVYYHUGMGYPDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-7-12(16)17-14-10(2)15-13(18-14)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate?
(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate has a molecular weight of 245.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate is sourced from PubChem (CID 90736452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).