2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C20H19F2N3O3 — CID 96504500

IUPAC2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCCc1nc([C@@H](NC(=O)COc2ccc(F)cc2F)c2ccccc2)no1
InChIInChI=1S/C20H19F2N3O3/c1-2-6-18-24-20(25-28-18)19(13-7-4-3-5-8-13)23-17(26)12-27-16-10-9-14(21)11-15(16)22/h3-5,7-11,19H,2,6,12H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeySAJNLNDYCIMMAG-IBGZPJMESA-N
MW387.39 g/mol
LogP3.58
Rot. Bonds8

About 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 96504500) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID96504500
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCCc1nc([C@@H](NC(=O)COc2ccc(F)cc2F)c2ccccc2)no1
InChIInChI=1S/C20H19F2N3O3/c1-2-6-18-24-20(25-28-18)19(13-7-4-3-5-8-13)23-17(26)12-27-16-10-9-14(21)11-15(16)22/h3-5,7-11,19H,2,6,12H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeySAJNLNDYCIMMAG-IBGZPJMESA-N
XLogP3.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(R)-(4-fluorophenyl)-phenylmethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51956080
N-[(R)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97321279
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
2-(2,4-difluorophenoxy)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56530159
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
CID 46448423
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide
CID 112842045
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
(2R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107562867

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 96504500) is 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CCCc1nc([C@@H](NC(=O)COc2ccc(F)cc2F)c2ccccc2)no1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is SAJNLNDYCIMMAG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-2-6-18-24-20(25-28-18)19(13-7-4-3-5-8-13)23-17(26)12-27-16-10-9-14(21)11-15(16)22/h3-5,7-11,19H,2,6,12H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 387.39 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 96504500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).