2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide

C26H27FN4O5 — CID 67574804

IUPAC2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide
SMILESCCC(Oc1ccc(-c2noc(C(C)C)n2)cc1)c1nc(-c2ccc(C(=O)NCCO)c(F)c2)co1
InChIInChI=1S/C26H27FN4O5/c1-4-22(35-18-8-5-16(6-9-18)23-30-25(15(2)3)36-31-23)26-29-21(14-34-26)17-7-10-19(20(27)13-17)24(33)28-11-12-32/h5-10,13-15,22,32H,4,11-12H2,1-3H3,(H,28,33)
InChIKeyUNLCYWKYVVCRFV-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.91
Rot. Bonds10

About 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide

2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide (PubChem CID 67574804) has the molecular formula C26H27FN4O5 and a molecular weight of 494.52 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide
PubChem CID67574804
Molecular FormulaC26H27FN4O5
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide
SMILESCCC(Oc1ccc(-c2noc(C(C)C)n2)cc1)c1nc(-c2ccc(C(=O)NCCO)c(F)c2)co1
InChIInChI=1S/C26H27FN4O5/c1-4-22(35-18-8-5-16(6-9-18)23-30-25(15(2)3)36-31-23)26-29-21(14-34-26)17-7-10-19(20(27)13-17)24(33)28-11-12-32/h5-10,13-15,22,32H,4,11-12H2,1-3H3,(H,28,33)
InChIKeyUNLCYWKYVVCRFV-UHFFFAOYSA-N
XLogP4.91
TPSA123.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide with MolForge

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Related Compounds

2-[[2-fluoro-4-[5-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzoyl]amino]-2-(2-methylpropylamino)acetic acid;hydrochloride
CID 142765140
[(2R)-2-[[2-fluoro-4-[5-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzoyl]amino]butyl] 2-aminoacetate
CID 67574777
2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[1-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2,4-oxadiazol-3-yl]benzamide
CID 67574764
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
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
5-ethyl-3-[4-[1-[3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]-1,2,4-oxadiazole
CID 51357546
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
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
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 144507683
N-[(2S)-1-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-1-hydroxypropan-2-yl]-2-fluorobenzamide
CID 141332482
5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112815966
4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride
CID 178112442

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide (CID 67574804) is 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide is CCC(Oc1ccc(-c2noc(C(C)C)n2)cc1)c1nc(-c2ccc(C(=O)NCCO)c(F)c2)co1.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide?
The InChIKey is UNLCYWKYVVCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O5/c1-4-22(35-18-8-5-16(6-9-18)23-30-25(15(2)3)36-31-23)26-29-21(14-34-26)17-7-10-19(20(27)13-17)24(33)28-11-12-32/h5-10,13-15,22,32H,4,11-12H2,1-3H3,(H,28,33).
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide?
2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide has a molecular weight of 494.52 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-4-[2-[1-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,3-oxazol-4-yl]benzamide is sourced from PubChem (CID 67574804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).