N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide

C14H15BrN2O2 — CID 97096426

IUPACN-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESCC[C@@H](NC(=O)Cc1ccon1)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2/c1-2-13(11-5-3-4-6-12(11)15)16-14(18)9-10-7-8-19-17-10/h3-8,13H,2,9H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeySKZATPAESIYCTO-CYBMUJFWSA-N
MW323.19 g/mol
LogP3.25
Rot. Bonds5

About N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide

N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 97096426) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide
PubChem CID97096426
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESCC[C@@H](NC(=O)Cc1ccon1)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2/c1-2-13(11-5-3-4-6-12(11)15)16-14(18)9-10-7-8-19-17-10/h3-8,13H,2,9H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeySKZATPAESIYCTO-CYBMUJFWSA-N
XLogP3.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97244198
N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681
N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016308
2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 115730815
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide
CID 131134519
N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide
CID 164551444
N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62632696
N-(2-chlorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858749
2-[1-(2-bromophenyl)propylamino]ethanol
CID 115707470
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 96560017
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75393708

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide (CID 97096426) is N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide is CC[C@@H](NC(=O)Cc1ccon1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is SKZATPAESIYCTO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-13(11-5-3-4-6-12(11)15)16-14(18)9-10-7-8-19-17-10/h3-8,13H,2,9H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide?
N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 323.19 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 97096426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).