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

C17H16N4O5 — CID 31651746

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate
SMILESCc1noc(C)c1COC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O
InChIInChI=1S/C17H16N4O5/c1-9-13(10(2)26-20-9)8-25-14(22)7-21-17(24)12-6-4-3-5-11(12)15(19-21)16(18)23/h3-6H,7-8H2,1-2H3,(H2,18,23)
InChIKeyDRLRWJRLUWVKDC-UHFFFAOYSA-N
MW356.34 g/mol
LogP0.84
Rot. Bonds5

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate (PubChem CID 31651746) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate
PubChem CID31651746
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate
SMILESCc1noc(C)c1COC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O
InChIInChI=1S/C17H16N4O5/c1-9-13(10(2)26-20-9)8-25-14(22)7-21-17(24)12-6-4-3-5-11(12)15(19-21)16(18)23/h3-6H,7-8H2,1-2H3,(H2,18,23)
InChIKeyDRLRWJRLUWVKDC-UHFFFAOYSA-N
XLogP0.84
TPSA130.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate
CID 8945828
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9399186
3-(2-butoxy-2-oxoethyl)-4-oxophthalazine-1-carboxylic acid
CID 16610971
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate
CID 18271584
3-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 18192278
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901659
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate
CID 31880676
3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9204419
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-methylpiperidin-1-yl)acetate
CID 71846944
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-1-oxophthalazin-2-yl]acetate
CID 75123935
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 7898916

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate (CID 31651746) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate is Cc1noc(C)c1COC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate?
The InChIKey is DRLRWJRLUWVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-9-13(10(2)26-20-9)8-25-14(22)7-21-17(24)12-6-4-3-5-11(12)15(19-21)16(18)23/h3-6H,7-8H2,1-2H3,(H2,18,23).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate has a molecular weight of 356.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate is sourced from PubChem (CID 31651746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).