methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate

C23H20FNO5 — CID 118508137

IUPACmethyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2cc(C(C)Oc3ccc(C(=O)C4CC4)cc3)on2)cc1F
InChIInChI=1S/C23H20FNO5/c1-13(29-17-8-5-15(6-9-17)22(26)14-3-4-14)21-12-20(25-30-21)16-7-10-18(19(24)11-16)23(27)28-2/h5-14H,3-4H2,1-2H3
InChIKeyHAOWOQAJABGJHV-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.00
Rot. Bonds7

About methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate

methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate (PubChem CID 118508137) has the molecular formula C23H20FNO5 and a molecular weight of 409.41 g/mol. Its IUPAC name is methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate
PubChem CID118508137
Molecular FormulaC23H20FNO5
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Namemethyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2cc(C(C)Oc3ccc(C(=O)C4CC4)cc3)on2)cc1F
InChIInChI=1S/C23H20FNO5/c1-13(29-17-8-5-15(6-9-17)22(26)14-3-4-14)21-12-20(25-30-21)16-7-10-18(19(24)11-16)23(27)28-2/h5-14H,3-4H2,1-2H3
InChIKeyHAOWOQAJABGJHV-UHFFFAOYSA-N
XLogP5.00
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate with MolForge

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Related Compounds

tert-butyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoate
CID 118508149
4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2,4-oxadiazol-3-yl]-N-[[(3R,4R)-3,4-dihydroxycyclopentyl]methyl]-2-fluorobenzamide
CID 163537452
4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 129267648
4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]benzamide
CID 71493288
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide
CID 56959559
methyl 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 172533149
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
4-[5-[(1R)-1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoic acid
CID 118508262
amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate
CID 121285496
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone
CID 95781661
methyl 4-[5-(5,6-dichloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoate
CID 86645653
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate?
The IUPAC name of methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate (CID 118508137) is methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate is COC(=O)c1ccc(-c2cc(C(C)Oc3ccc(C(=O)C4CC4)cc3)on2)cc1F.
What is the InChIKey of methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate?
The InChIKey is HAOWOQAJABGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO5/c1-13(29-17-8-5-15(6-9-17)22(26)14-3-4-14)21-12-20(25-30-21)16-7-10-18(19(24)11-16)23(27)28-2/h5-14H,3-4H2,1-2H3.
What are the key properties of methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate?
methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate has a molecular weight of 409.41 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate is sourced from PubChem (CID 118508137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).