(2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C17H17NO6 — CID 45099987

IUPAC(2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1cccc(C(=O)OC2CCOC2=O)c1
InChIInChI=1S/C17H17NO6/c1-10-14(11(2)24-18-10)9-22-13-5-3-4-12(8-13)16(19)23-15-6-7-21-17(15)20/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyJGRSUUHJVDDZNS-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.34
Rot. Bonds5

About (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

(2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 45099987) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID45099987
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name(2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1cccc(C(=O)OC2CCOC2=O)c1
InChIInChI=1S/C17H17NO6/c1-10-14(11(2)24-18-10)9-22-13-5-3-4-12(8-13)16(19)23-15-6-7-21-17(15)20/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyJGRSUUHJVDDZNS-UHFFFAOYSA-N
XLogP2.34
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-2-oxooxolan-3-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2444678
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7269971
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
(3,4-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186411
(4-cyclopentylpiperazin-1-yl)-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 134020443
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 40793044
[(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7240208
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
(2,5-dimethylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186406
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097025
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 7964223

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 45099987) is (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1cccc(C(=O)OC2CCOC2=O)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is JGRSUUHJVDDZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-10-14(11(2)24-18-10)9-22-13-5-3-4-12(8-13)16(19)23-15-6-7-21-17(15)20/h3-5,8,15H,6-7,9H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
(2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 331.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 45099987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).