(1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C25H19N3O4 — CID 18279019

IUPAC(1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)OCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N3O4/c29-23(16-27-21-13-7-8-14-22(21)32-25(27)30)31-17-19-15-28(20-11-5-2-6-12-20)26-24(19)18-9-3-1-4-10-18/h1-15H,16-17H2
InChIKeyYGNRHPBTPKDTNN-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.19
Rot. Bonds6

About (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

(1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 18279019) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID18279019
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name(1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)OCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N3O4/c29-23(16-27-21-13-7-8-14-22(21)32-25(27)30)31-17-19-15-28(20-11-5-2-6-12-20)26-24(19)18-9-3-1-4-10-18/h1-15H,16-17H2
InChIKeyYGNRHPBTPKDTNN-UHFFFAOYSA-N
XLogP4.19
TPSA79.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31333794
(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate
CID 7700000
(1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 24600453
(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401044
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 2-phenylsulfanylacetate
CID 4846573
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
(1,3-dioxoisoindol-2-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400824
(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 7703542
(7-bromo-2-oxochromen-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 55310867
(1,3-diphenylpyrazol-4-yl)methyl naphthalene-2-carboxylate
CID 7697736
(1,3-diphenylpyrazol-4-yl)methyl (2E,4E)-hexa-2,4-dienoate
CID 7700088
(1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55414239

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 18279019) is (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is O=C(Cn1c(=O)oc2ccccc21)OCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is YGNRHPBTPKDTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c29-23(16-27-21-13-7-8-14-22(21)32-25(27)30)31-17-19-15-28(20-11-5-2-6-12-20)26-24(19)18-9-3-1-4-10-18/h1-15H,16-17H2.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
(1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 425.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 18279019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).