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

C13H13NO3 — CID 172679372

IUPAC(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate
SMILESCCC(=O)Oc1oc(-c2ccccc2)nc1C
InChIInChI=1S/C13H13NO3/c1-3-11(15)16-13-9(2)14-12(17-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyAENKSIUCIIUOES-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.97
Rot. Bonds3

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

(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate (PubChem CID 172679372) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate
PubChem CID172679372
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate
SMILESCCC(=O)Oc1oc(-c2ccccc2)nc1C
InChIInChI=1S/C13H13NO3/c1-3-11(15)16-13-9(2)14-12(17-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyAENKSIUCIIUOES-UHFFFAOYSA-N
XLogP2.97
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
CID 90736452
[4-methyl-2-(2-methylphenyl)-1,3-oxazol-5-yl] hydrogen carbonate
CID 70968115
methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate
CID 102318822
(2-methyl-5-phenylfuran-3-yl) propanoate
CID 102515590
5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole
CID 71379706
phenyl propanoate
CID 161258381
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
N-(4-ethylphenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649816
methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate
CID 10517811
CID 161494205
CID 161494205
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120518600

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate?
The IUPAC name of (4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate (CID 172679372) is (4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate?
The canonical SMILES for (4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate is CCC(=O)Oc1oc(-c2ccccc2)nc1C.
What is the InChIKey of (4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate?
The InChIKey is AENKSIUCIIUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-11(15)16-13-9(2)14-12(17-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of (4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate?
(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate has a molecular weight of 231.25 g/mol, XLogP of 2.97, 3 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) propanoate is sourced from PubChem (CID 172679372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).