4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide

C25H25FN2O5 — CID 129267648

IUPAC4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(-c2nc(C(C)Oc3ccc(C(=O)C4CC4)cc3)co2)cc1F
InChIInChI=1S/C25H25FN2O5/c1-14(12-29)27-24(31)20-10-7-18(11-21(20)26)25-28-22(13-32-25)15(2)33-19-8-5-17(6-9-19)23(30)16-3-4-16/h5-11,13-16,29H,3-4,12H2,1-2H3,(H,27,31)
InChIKeyXZJPQPQCELPCGX-UHFFFAOYSA-N
MW452.48 g/mol
LogP4.32
Rot. Bonds9

About 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide

4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 129267648) has the molecular formula C25H25FN2O5 and a molecular weight of 452.48 g/mol. Its IUPAC name is 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID129267648
Molecular FormulaC25H25FN2O5
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(-c2nc(C(C)Oc3ccc(C(=O)C4CC4)cc3)co2)cc1F
InChIInChI=1S/C25H25FN2O5/c1-14(12-29)27-24(31)20-10-7-18(11-21(20)26)25-28-22(13-32-25)15(2)33-19-8-5-17(6-9-19)23(30)16-3-4-16/h5-11,13-16,29H,3-4,12H2,1-2H3,(H,27,31)
InChIKeyXZJPQPQCELPCGX-UHFFFAOYSA-N
XLogP4.32
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate
CID 121285496
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
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 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate
CID 118508137
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]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]benzamide
CID 71493288
2-[[4-[5-[(1R)-1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoyl]amino]-3-hydroxypropanoic acid
CID 118508231
N-[(2S)-1-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-1-hydroxypropan-2-yl]-2-fluorobenzamide
CID 141332482
1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one
CID 161493482
4-[5-[(1R)-1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoic acid
CID 118508262
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[5-[1-[4-(trifluoromethoxy)phenoxy]ethyl]-1,2-thiazol-3-yl]benzamide
CID 118508287
methyl (2S)-2-ethoxy-3-[4-[(1S)-1-[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2,6-dimethylphenyl]propanoate
CID 69282337

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide (CID 129267648) is 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccc(-c2nc(C(C)Oc3ccc(C(=O)C4CC4)cc3)co2)cc1F.
What is the InChIKey of 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is XZJPQPQCELPCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O5/c1-14(12-29)27-24(31)20-10-7-18(11-21(20)26)25-28-22(13-32-25)15(2)33-19-8-5-17(6-9-19)23(30)16-3-4-16/h5-11,13-16,29H,3-4,12H2,1-2H3,(H,27,31).
What are the key properties of 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 452.48 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 129267648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).