(5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate

C20H15N3O4 — CID 7675343

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCn1nc(C(=O)OCc2ncc(-c3ccccc3)o2)c2ccccc2c1=O
InChIInChI=1S/C20H15N3O4/c1-23-19(24)15-10-6-5-9-14(15)18(22-23)20(25)26-12-17-21-11-16(27-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyKUOLLKCZAINVKO-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.95
Rot. Bonds4

About (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate

(5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate (PubChem CID 7675343) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
PubChem CID7675343
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCn1nc(C(=O)OCc2ncc(-c3ccccc3)o2)c2ccccc2c1=O
InChIInChI=1S/C20H15N3O4/c1-23-19(24)15-10-6-5-9-14(15)18(22-23)20(25)26-12-17-21-11-16(27-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyKUOLLKCZAINVKO-UHFFFAOYSA-N
XLogP2.95
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 16588390
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 18130355
pyridin-2-ylmethyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 18100471
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811686
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
diethyl-methyl-[2-(3-methyl-4-oxophthalazine-1-carbonyl)oxyethyl]azanium iodide
CID 18528195
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 4027476

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate (CID 7675343) is (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate is Cn1nc(C(=O)OCc2ncc(-c3ccccc3)o2)c2ccccc2c1=O.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The InChIKey is KUOLLKCZAINVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-23-19(24)15-10-6-5-9-14(15)18(22-23)20(25)26-12-17-21-11-16(27-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate has a molecular weight of 361.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 7675343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).