7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one

C18H19NO4 — CID 7917685

IUPAC7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3c(C)noc3C)ccc12
InChIInChI=1S/C18H19NO4/c1-4-5-13-8-18(20)22-17-9-14(6-7-15(13)17)21-10-16-11(2)19-23-12(16)3/h6-9H,4-5,10H2,1-3H3
InChIKeyRLXAEBQTEUCHFN-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.93
Rot. Bonds5

About 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one

7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one (PubChem CID 7917685) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
PubChem CID7917685
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3c(C)noc3C)ccc12
InChIInChI=1S/C18H19NO4/c1-4-5-13-8-18(20)22-17-9-14(6-7-15(13)17)21-10-16-11(2)19-23-12(16)3/h6-9H,4-5,10H2,1-3H3
InChIKeyRLXAEBQTEUCHFN-UHFFFAOYSA-N
XLogP3.93
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.93
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

7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
CID 9353949
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
4-propyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 46933173
7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
CID 112787885
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293952
7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
CID 133280797
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
CID 46583293
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142

Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one (CID 7917685) is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3c(C)noc3C)ccc12.
What is the InChIKey of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one?
The InChIKey is RLXAEBQTEUCHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-5-13-8-18(20)22-17-9-14(6-7-15(13)17)21-10-16-11(2)19-23-12(16)3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one?
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one has a molecular weight of 313.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 7917685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).