4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one

C19H15NO4S — CID 7699897

IUPAC4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCc3coc(-c4cccs4)n3)ccc12
InChIInChI=1S/C19H15NO4S/c1-2-12-8-18(21)24-16-9-14(5-6-15(12)16)22-10-13-11-23-19(20-13)17-4-3-7-25-17/h3-9,11H,2,10H2,1H3
InChIKeyHZGHGLBVLYAHFD-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.65
Rot. Bonds5

About 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one

4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one (PubChem CID 7699897) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one
PubChem CID7699897
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCc3coc(-c4cccs4)n3)ccc12
InChIInChI=1S/C19H15NO4S/c1-2-12-8-18(21)24-16-9-14(5-6-15(12)16)22-10-13-11-23-19(20-13)17-4-3-7-25-17/h3-9,11H,2,10H2,1H3
InChIKeyHZGHGLBVLYAHFD-UHFFFAOYSA-N
XLogP4.65
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
4-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 18166113
5-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 51100585
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
4-ethyl-7-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]chromen-2-one
CID 38829443
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 26054578
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
CID 46583293

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one?
The IUPAC name of 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one (CID 7699897) is 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one.
What is the SMILES notation for 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one?
The canonical SMILES for 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one is CCc1cc(=O)oc2cc(OCc3coc(-c4cccs4)n3)ccc12.
What is the InChIKey of 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one?
The InChIKey is HZGHGLBVLYAHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-2-12-8-18(21)24-16-9-14(5-6-15(12)16)22-10-13-11-23-19(20-13)17-4-3-7-25-17/h3-9,11H,2,10H2,1H3.
What are the key properties of 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one?
4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one has a molecular weight of 353.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one is sourced from PubChem (CID 7699897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).