N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C20H18FN3O3 — CID 41433415

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESNC(=O)[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1
InChIInChI=1S/C20H18FN3O3/c21-15-9-5-4-8-14(15)16-12-23-18(27-16)11-10-17(25)24-19(20(22)26)13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H2,22,26)(H,24,25)/t19-/m1/s1
InChIKeyQLBSIUPSNOZJGR-LJQANCHMSA-N
MW367.38 g/mol
LogP2.76
Rot. Bonds7

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 41433415) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID41433415
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESNC(=O)[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1
InChIInChI=1S/C20H18FN3O3/c21-15-9-5-4-8-14(15)16-12-23-18(27-16)11-10-17(25)24-19(20(22)26)13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H2,22,26)(H,24,25)/t19-/m1/s1
InChIKeyQLBSIUPSNOZJGR-LJQANCHMSA-N
XLogP2.76
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405
2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
CID 86915668
(2S)-2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methylpentanoic acid
CID 119361228
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 22830619
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43067897
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451502
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 41433415) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is NC(=O)[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is QLBSIUPSNOZJGR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-15-9-5-4-8-14(15)16-12-23-18(27-16)11-10-17(25)24-19(20(22)26)13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H2,22,26)(H,24,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 367.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 41433415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).