7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one

C18H19NO4 — CID 47025690

IUPAC7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ncc(C(C)(C)C)o3)ccc12
InChIInChI=1S/C18H19NO4/c1-11-7-17(20)22-14-8-12(5-6-13(11)14)21-10-16-19-9-15(23-16)18(2,3)4/h5-9H,10H2,1-4H3
InChIKeyZFDLASLGSYRZNP-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.97
Rot. Bonds3

About 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one

7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one (PubChem CID 47025690) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one
PubChem CID47025690
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ncc(C(C)(C)C)o3)ccc12
InChIInChI=1S/C18H19NO4/c1-11-7-17(20)22-14-8-12(5-6-13(11)14)21-10-16-19-9-15(23-16)18(2,3)4/h5-9H,10H2,1-4H3
InChIKeyZFDLASLGSYRZNP-UHFFFAOYSA-N
XLogP3.97
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.97
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-methyl-7-phenylmethoxychromen-2-one
CID 728520
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137817
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methoxy]chromen-2-one
CID 10063752
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate
CID 39903274
4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
CID 164886608
7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 78788494
7-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-4-methylchromen-2-one
CID 26000081

Frequently Asked Questions

What is the IUPAC name of 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one (CID 47025690) is 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCc3ncc(C(C)(C)C)o3)ccc12.
What is the InChIKey of 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one?
The InChIKey is ZFDLASLGSYRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-7-17(20)22-14-8-12(5-6-13(11)14)21-10-16-19-9-15(23-16)18(2,3)4/h5-9H,10H2,1-4H3.
What are the key properties of 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one?
7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one has a molecular weight of 313.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 47025690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).