4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one

C19H14N2O4 — CID 164886608

IUPAC4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3noc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C19H14N2O4/c1-12-9-18(22)24-16-10-14(7-8-15(12)16)23-11-17-20-19(25-21-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyIIRFKVBIPSSOHC-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.73
Rot. Bonds4

About 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one

4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one (PubChem CID 164886608) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
PubChem CID164886608
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3noc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C19H14N2O4/c1-12-9-18(22)24-16-10-14(7-8-15(12)16)23-11-17-20-19(25-21-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyIIRFKVBIPSSOHC-UHFFFAOYSA-N
XLogP3.73
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.73
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

4-methyl-7-phenylmethoxychromen-2-one
CID 728520
6-chloro-4-methyl-7-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]chromen-2-one
CID 39527648
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
4-methyl-7-[(4-methylquinoxalin-4-ium-2-yl)methoxy]chromen-2-one
CID 15434334
N-[(3-chlorophenyl)methyl]-3-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29131878
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137817
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
4-methyl-7-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy]chromen-2-one
CID 46685912
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one?
The IUPAC name of 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one (CID 164886608) is 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one?
The canonical SMILES for 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCc3noc(-c4ccccc4)n3)ccc12.
What is the InChIKey of 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one?
The InChIKey is IIRFKVBIPSSOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-12-9-18(22)24-16-10-14(7-8-15(12)16)23-11-17-20-19(25-21-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one?
4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one has a molecular weight of 334.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one is sourced from PubChem (CID 164886608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).