1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate

C18H13NO4 — CID 75401895

IUPAC1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate
SMILESO=C(OCc1ccno1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H13NO4/c20-18(21-11-12-9-10-19-23-12)17-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)17/h1-10,17H,11H2
InChIKeyXQVPWWISKJMAOD-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.66
Rot. Bonds3

About 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate

1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate (PubChem CID 75401895) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate
PubChem CID75401895
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate
SMILESO=C(OCc1ccno1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H13NO4/c20-18(21-11-12-9-10-19-23-12)17-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)17/h1-10,17H,11H2
InChIKeyXQVPWWISKJMAOD-UHFFFAOYSA-N
XLogP3.66
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate?
The IUPAC name of 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate (CID 75401895) is 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate.
What is the SMILES notation for 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate?
The canonical SMILES for 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate is O=C(OCc1ccno1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate?
The InChIKey is XQVPWWISKJMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-18(21-11-12-9-10-19-23-12)17-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)17/h1-10,17H,11H2.
What are the key properties of 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate?
1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-ylmethyl 9H-xanthene-9-carboxylate is sourced from PubChem (CID 75401895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).