(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C17H18FN5O3 — CID 52526891

IUPAC(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)on1
InChIInChI=1S/C17H18FN5O3/c1-9-8-14(25-22-9)20-16(24)10(2)19-11(3)17-21-15(23-26-17)12-4-6-13(18)7-5-12/h4-8,10-11,19H,1-3H3,(H,20,24)/t10-,11+/m1/s1
InChIKeyWYEWSLQRSWWXRA-MNOVXSKESA-N
MW359.36 g/mol
LogP2.85
Rot. Bonds6

About (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 52526891) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID52526891
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)on1
InChIInChI=1S/C17H18FN5O3/c1-9-8-14(25-22-9)20-16(24)10(2)19-11(3)17-21-15(23-26-17)12-4-6-13(18)7-5-12/h4-8,10-11,19H,1-3H3,(H,20,24)/t10-,11+/m1/s1
InChIKeyWYEWSLQRSWWXRA-MNOVXSKESA-N
XLogP2.85
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42896225
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201
(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720301
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 124614367
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 49179572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 52526891) is (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)on1.
What is the InChIKey of (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is WYEWSLQRSWWXRA-MNOVXSKESA-N. The full InChI is InChI=1S/C17H18FN5O3/c1-9-8-14(25-22-9)20-16(24)10(2)19-11(3)17-21-15(23-26-17)12-4-6-13(18)7-5-12/h4-8,10-11,19H,1-3H3,(H,20,24)/t10-,11+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 359.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 52526891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).