(3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

C16H14N2O4 — CID 16603276

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(C)no1
InChIInChI=1S/C16H14N2O4/c1-10-7-12(22-17-10)9-21-15(19)8-18-11(2)13-5-3-4-6-14(13)16(18)20/h3-7H,2,8-9H2,1H3
InChIKeyWKHIYHWPOTXPKW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.15
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

(3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (PubChem CID 16603276) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
PubChem CID16603276
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(C)no1
InChIInChI=1S/C16H14N2O4/c1-10-7-12(22-17-10)9-21-15(19)8-18-11(2)13-5-3-4-6-14(13)16(18)20/h3-7H,2,8-9H2,1H3
InChIKeyWKHIYHWPOTXPKW-UHFFFAOYSA-N
XLogP2.15
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603246
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 31532566
(3-methyl-1,2-oxazol-5-yl)methyl 2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98700383
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603256
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603241
(1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 24600453
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16579566
(3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate
CID 55443409
(3-methyl-1,2-oxazol-5-yl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 18099878
(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 31804849
2-(1-methylidene-3-oxoisoindol-2-yl)ethanethioamide
CID 143782156
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537739

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (CID 16603276) is (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is C=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(C)no1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The InChIKey is WKHIYHWPOTXPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10-7-12(22-17-10)9-21-15(19)8-18-11(2)13-5-3-4-6-14(13)16(18)20/h3-7H,2,8-9H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate has a molecular weight of 298.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is sourced from PubChem (CID 16603276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).