(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate

C15H16N2O4 — CID 126807547

IUPAC(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate
SMILESCc1nc(COC(=O)Cc2ccc(C(N)=O)cc2)oc1C
InChIInChI=1S/C15H16N2O4/c1-9-10(2)21-13(17-9)8-20-14(18)7-11-3-5-12(6-4-11)15(16)19/h3-6H,7-8H2,1-2H3,(H2,16,19)
InChIKeyXXNBOEQSPOHGFK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.68
Rot. Bonds5

About (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate

(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate (PubChem CID 126807547) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate
PubChem CID126807547
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate
SMILESCc1nc(COC(=O)Cc2ccc(C(N)=O)cc2)oc1C
InChIInChI=1S/C15H16N2O4/c1-9-10(2)21-13(17-9)8-20-14(18)7-11-3-5-12(6-4-11)15(16)19/h3-6H,7-8H2,1-2H3,(H2,16,19)
InChIKeyXXNBOEQSPOHGFK-UHFFFAOYSA-N
XLogP1.68
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
CID 25498133
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide
CID 106374178
(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 27205283
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-4-nitrobenzamide
CID 106374095
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466308
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-bromophenyl)acetate
CID 29356006
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
CID 47821720

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate?
The IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate (CID 126807547) is (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate.
What is the SMILES notation for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate?
The canonical SMILES for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate is Cc1nc(COC(=O)Cc2ccc(C(N)=O)cc2)oc1C.
What is the InChIKey of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate?
The InChIKey is XXNBOEQSPOHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-10(2)21-13(17-9)8-20-14(18)7-11-3-5-12(6-4-11)15(16)19/h3-6H,7-8H2,1-2H3,(H2,16,19).
What are the key properties of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate?
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate has a molecular weight of 288.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate is sourced from PubChem (CID 126807547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).