2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide

C17H15BrN2O2 — CID 9152218

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1noc2ccccc12)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O2/c1-11(12-6-2-4-8-14(12)18)19-17(21)10-15-13-7-3-5-9-16(13)22-20-15/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyWTLZTQYWELTBSF-NSHDSACASA-N
MW359.22 g/mol
LogP4.01
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide (PubChem CID 9152218) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
PubChem CID9152218
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1noc2ccccc12)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O2/c1-11(12-6-2-4-8-14(12)18)19-17(21)10-15-13-7-3-5-9-16(13)22-20-15/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyWTLZTQYWELTBSF-NSHDSACASA-N
XLogP4.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 51217461
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]acetamide
CID 9187304
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 18203969
2-(1,2-benzoxazol-3-yl)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 94618514
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97244364
[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938300
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide (CID 9152218) is 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide is C[C@H](NC(=O)Cc1noc2ccccc12)c1ccccc1Br.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide?
The InChIKey is WTLZTQYWELTBSF-NSHDSACASA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11(12-6-2-4-8-14(12)18)19-17(21)10-15-13-7-3-5-9-16(13)22-20-15/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide has a molecular weight of 359.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 9152218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).