4-methoxychromeno[4,3-c][1,2]oxazol-3-one

C11H7NO4 — CID 2786154

IUPAC4-methoxychromeno[4,3-c][1,2]oxazol-3-one
SMILESCOc1oc2ccccc2c2noc(=O)c1-2
InChIInChI=1S/C11H7NO4/c1-14-11-8-9(12-16-10(8)13)6-4-2-3-5-7(6)15-11/h2-5H,1H3
InChIKeyBRFDSGBZYYTWDP-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.89
Rot. Bonds1

About 4-methoxychromeno[4,3-c][1,2]oxazol-3-one

4-methoxychromeno[4,3-c][1,2]oxazol-3-one (PubChem CID 2786154) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 4-methoxychromeno[4,3-c][1,2]oxazol-3-one.

Molecular Properties

Compound Name4-methoxychromeno[4,3-c][1,2]oxazol-3-one
PubChem CID2786154
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name4-methoxychromeno[4,3-c][1,2]oxazol-3-one
SMILESCOc1oc2ccccc2c2noc(=O)c1-2
InChIInChI=1S/C11H7NO4/c1-14-11-8-9(12-16-10(8)13)6-4-2-3-5-7(6)15-11/h2-5H,1H3
InChIKeyBRFDSGBZYYTWDP-UHFFFAOYSA-N
XLogP1.89
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methoxychromeno[4,3-c][1,2]oxazol-3-one?
The IUPAC name of 4-methoxychromeno[4,3-c][1,2]oxazol-3-one (CID 2786154) is 4-methoxychromeno[4,3-c][1,2]oxazol-3-one.
What is the SMILES notation for 4-methoxychromeno[4,3-c][1,2]oxazol-3-one?
The canonical SMILES for 4-methoxychromeno[4,3-c][1,2]oxazol-3-one is COc1oc2ccccc2c2noc(=O)c1-2.
What is the InChIKey of 4-methoxychromeno[4,3-c][1,2]oxazol-3-one?
The InChIKey is BRFDSGBZYYTWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c1-14-11-8-9(12-16-10(8)13)6-4-2-3-5-7(6)15-11/h2-5H,1H3.
What are the key properties of 4-methoxychromeno[4,3-c][1,2]oxazol-3-one?
4-methoxychromeno[4,3-c][1,2]oxazol-3-one has a molecular weight of 217.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxychromeno[4,3-c][1,2]oxazol-3-one is sourced from PubChem (CID 2786154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).