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

C18H17NO4 — CID 15066931

IUPAC7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCc3cc(C4CC4)on3)cc2oc1=O
InChIInChI=1S/C18H17NO4/c1-10-11(2)18(20)22-17-8-14(5-6-15(10)17)21-9-13-7-16(23-19-13)12-3-4-12/h5-8,12H,3-4,9H2,1-2H3
InChIKeyZMQCEAWOLZEWGD-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.85
Rot. Bonds4

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

7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one (PubChem CID 15066931) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one
PubChem CID15066931
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCc3cc(C4CC4)on3)cc2oc1=O
InChIInChI=1S/C18H17NO4/c1-10-11(2)18(20)22-17-8-14(5-6-15(10)17)21-9-13-7-16(23-19-13)12-3-4-12/h5-8,12H,3-4,9H2,1-2H3
InChIKeyZMQCEAWOLZEWGD-UHFFFAOYSA-N
XLogP3.85
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.85
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

F1143-2849
CID 675503
5-[3-(2,6-Dimethyl-4-phenyl-phenoxy)propyl]-3-methyl-isoxazole
CID 515980
5-[3-[2,6-Dimethyl-4-(m-tolyl)phenoxy]propyl]-3-methyl-isoxazole
CID 515981
5-[3-[4-(4-Methoxyphenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515984
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2122162
5-[3-[2,6-Dimethyl-4-(3,4,5-trimethoxyphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole
CID 44427663
5-(3-{2-[3-Hydroxy-2-(methoxycarbonyl)phenoxymethyl]cyclopropyl}phenyl)-1,2-oxazole-3-carboxylic acid
CID 10092909
(6-Ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 5693817
ethyl 5-[(E)-2-(3,5-dimethoxyphenyl)vinyl]isoxazole-3-carboxylate
CID 44479193
ethyl 5-[(E)-2-(3,5-dibenzyloxyphenyl)vinyl]isoxazole-3-carboxylate
CID 44479935
ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate
CID 45483997
Ethyl 4-[4-(3-methylisoxazol-5-yl)butoxy]benzoate
CID 5271187

Frequently Asked Questions

What is the IUPAC name of 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one?
The IUPAC name of 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one (CID 15066931) is 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one is Cc1c(C)c2ccc(OCc3cc(C4CC4)on3)cc2oc1=O.
What is the InChIKey of 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one?
The InChIKey is ZMQCEAWOLZEWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-10-11(2)18(20)22-17-8-14(5-6-15(10)17)21-9-13-7-16(23-19-13)12-3-4-12/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one?
7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one has a molecular weight of 311.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-cyclopropyl-1,2-oxazol-3-yl)methoxy]-3,4-dimethylchromen-2-one is sourced from PubChem (CID 15066931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).