methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate

C14H15NO3 — CID 58874245

IUPACmethyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)oc1C(C)C
InChIInChI=1S/C14H15NO3/c1-9(2)12-11(14(16)17-3)15-13(18-12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyWKGPWPLTRLGOPP-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.25
Rot. Bonds3

About methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate

methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 58874245) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
PubChem CID58874245
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)oc1C(C)C
InChIInChI=1S/C14H15NO3/c1-9(2)12-11(14(16)17-3)15-13(18-12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyWKGPWPLTRLGOPP-UHFFFAOYSA-N
XLogP3.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,4-difluorophenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 122476403
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 57434498
ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 152807830
methyl 2-phenyl-5-[2-(2,2,2-trifluoroacetyl)hydrazinyl]-1,3-oxazole-4-carboxylate
CID 39868678
(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
CID 56819940
5-(1-methylsulfonylethyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 104517924
3-(2,4-dichlorophenyl)-3-[(2-phenyl-5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 71240211
2-(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)ethanol
CID 70178572
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
4-(chloromethyl)-2-phenyl-5-propan-2-yl-1,3-oxazole
CID 102363467
dimethyl 2-(4-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953674

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate (CID 58874245) is methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate is COC(=O)c1nc(-c2ccccc2)oc1C(C)C.
What is the InChIKey of methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is WKGPWPLTRLGOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)12-11(14(16)17-3)15-13(18-12)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate?
methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 58874245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).