7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one

C19H15NO4 — CID 9354998

IUPAC7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
SMILESCCc1cc(=O)oc2cc(OCc3nc4ccccc4o3)ccc12
InChIInChI=1S/C19H15NO4/c1-2-12-9-19(21)24-17-10-13(7-8-14(12)17)22-11-18-20-15-5-3-4-6-16(15)23-18/h3-10H,2,11H2,1H3
InChIKeyBRWKSXBWNGWQPU-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.08
Rot. Bonds4

About 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one

7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one (PubChem CID 9354998) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one.

Molecular Properties

Compound Name7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
PubChem CID9354998
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
SMILESCCc1cc(=O)oc2cc(OCc3nc4ccccc4o3)ccc12
InChIInChI=1S/C19H15NO4/c1-2-12-9-19(21)24-17-10-13(7-8-14(12)17)22-11-18-20-15-5-3-4-6-16(15)23-18/h3-10H,2,11H2,1H3
InChIKeyBRWKSXBWNGWQPU-UHFFFAOYSA-N
XLogP4.08
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
4-ethyl-7-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]chromen-2-one
CID 38829443
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one
CID 7699897
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
4-propyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 46933173
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021
5-[(4-ethyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylic acid
CID 705665

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one?
The IUPAC name of 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one (CID 9354998) is 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one.
What is the SMILES notation for 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one?
The canonical SMILES for 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one is CCc1cc(=O)oc2cc(OCc3nc4ccccc4o3)ccc12.
What is the InChIKey of 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one?
The InChIKey is BRWKSXBWNGWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-12-9-19(21)24-17-10-13(7-8-14(12)17)22-11-18-20-15-5-3-4-6-16(15)23-18/h3-10H,2,11H2,1H3.
What are the key properties of 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one?
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one has a molecular weight of 321.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one is sourced from PubChem (CID 9354998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).