methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate

C21H19NO4 — CID 102318822

IUPACmethyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate
SMILESC=C(COc1oc(-c2ccccc2)nc1C)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H19NO4/c1-14(16-9-11-18(12-10-16)20(23)24-3)13-25-21-15(2)22-19(26-21)17-7-5-4-6-8-17/h4-12H,1,13H2,2-3H3
InChIKeyNADVTMVAQFKIHT-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.53
Rot. Bonds6

About methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate

methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate (PubChem CID 102318822) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate
PubChem CID102318822
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Namemethyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate
SMILESC=C(COc1oc(-c2ccccc2)nc1C)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H19NO4/c1-14(16-9-11-18(12-10-16)20(23)24-3)13-25-21-15(2)22-19(26-21)17-7-5-4-6-8-17/h4-12H,1,13H2,2-3H3
InChIKeyNADVTMVAQFKIHT-UHFFFAOYSA-N
XLogP4.53
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate with MolForge

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Related Compounds

methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate
CID 110650660
(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate
CID 172679372
(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
CID 90736452
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719
methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate
CID 36776567
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
CID 110653773
methyl 4-[5-[3-[5-(4-prop-1-en-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzoate
CID 88984323
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 58874245

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate?
The IUPAC name of methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate (CID 102318822) is methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate.
What is the SMILES notation for methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate?
The canonical SMILES for methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate is C=C(COc1oc(-c2ccccc2)nc1C)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate?
The InChIKey is NADVTMVAQFKIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-14(16-9-11-18(12-10-16)20(23)24-3)13-25-21-15(2)22-19(26-21)17-7-5-4-6-8-17/h4-12H,1,13H2,2-3H3.
What are the key properties of methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate?
methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate has a molecular weight of 349.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)oxy]prop-1-en-2-yl]benzoate is sourced from PubChem (CID 102318822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).