7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one

C13H10N2O4 — CID 71482215

IUPAC7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one
SMILESCOc1ccc2c(=O)c(Nc3ncco3)coc2c1
InChIInChI=1S/C13H10N2O4/c1-17-8-2-3-9-11(6-8)19-7-10(12(9)16)15-13-14-4-5-18-13/h2-7H,1H3,(H,14,15)
InChIKeyPIEFIOJBEUXMBO-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.53
Rot. Bonds3

About 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one

7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one (PubChem CID 71482215) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one
PubChem CID71482215
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one
SMILESCOc1ccc2c(=O)c(Nc3ncco3)coc2c1
InChIInChI=1S/C13H10N2O4/c1-17-8-2-3-9-11(6-8)19-7-10(12(9)16)15-13-14-4-5-18-13/h2-7H,1H3,(H,14,15)
InChIKeyPIEFIOJBEUXMBO-UHFFFAOYSA-N
XLogP2.53
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
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3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
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2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 10493126
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enenitrile
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methyl N-[(E)-(7-methoxy-4-oxochromen-3-yl)methylideneamino]carbamate
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CID 6953675

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one?
The IUPAC name of 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one (CID 71482215) is 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one?
The canonical SMILES for 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one is COc1ccc2c(=O)c(Nc3ncco3)coc2c1.
What is the InChIKey of 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one?
The InChIKey is PIEFIOJBEUXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-17-8-2-3-9-11(6-8)19-7-10(12(9)16)15-13-14-4-5-18-13/h2-7H,1H3,(H,14,15).
What are the key properties of 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one?
7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one has a molecular weight of 258.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one is sourced from PubChem (CID 71482215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).