N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide

C17H16FN3O2 — CID 154849017

IUPACN-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
SMILESNC(CNC(=O)Cc1noc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C17H16FN3O2/c18-12-6-7-16-13(8-12)15(21-23-16)9-17(22)20-10-14(19)11-4-2-1-3-5-11/h1-8,14H,9-10,19H2,(H,20,22)
InChIKeyFEYCEEJLPCPJOX-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.33
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide

N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide (PubChem CID 154849017) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
PubChem CID154849017
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
SMILESNC(CNC(=O)Cc1noc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C17H16FN3O2/c18-12-6-7-16-13(8-12)15(21-23-16)9-17(22)20-10-14(19)11-4-2-1-3-5-11/h1-8,14H,9-10,19H2,(H,20,22)
InChIKeyFEYCEEJLPCPJOX-UHFFFAOYSA-N
XLogP2.33
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730689
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-methoxybutanoic acid
CID 103153009
2-(1,2-benzoxazol-3-yl)-N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497823
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide
CID 128759287
N-(2-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 63120581
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 166286089
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide (CID 154849017) is N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide is NC(CNC(=O)Cc1noc2ccc(F)cc12)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is FEYCEEJLPCPJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-12-6-7-16-13(8-12)15(21-23-16)9-17(22)20-10-14(19)11-4-2-1-3-5-11/h1-8,14H,9-10,19H2,(H,20,22).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide?
N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 154849017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).