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

C20H13NO5 — CID 37136414

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H13NO5/c22-17-11-19(25-18-9-5-4-8-15(17)18)20(23)24-12-14-10-16(21-26-14)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeySKDUNHNSQQFTMT-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.81
Rot. Bonds4

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

(3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate (PubChem CID 37136414) has the molecular formula C20H13NO5 and a molecular weight of 347.33 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate
PubChem CID37136414
Molecular FormulaC20H13NO5
Molecular Weight347.33 g/mol
Exact Mass347.08
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H13NO5/c22-17-11-19(25-18-9-5-4-8-15(17)18)20(23)24-12-14-10-16(21-26-14)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeySKDUNHNSQQFTMT-UHFFFAOYSA-N
XLogP3.81
TPSA82.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate (CID 37136414) is (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate is O=C(OCc1cc(-c2ccccc2)no1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate?
The InChIKey is SKDUNHNSQQFTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5/c22-17-11-19(25-18-9-5-4-8-15(17)18)20(23)24-12-14-10-16(21-26-14)13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate?
(3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate has a molecular weight of 347.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate is sourced from PubChem (CID 37136414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).