2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C14H15BrN2O3 — CID 56788300

IUPAC2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1NC(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C14H15BrN2O3/c1-8-13(9(2)20-17-8)16-14(18)10(3)19-12-7-5-4-6-11(12)15/h4-7,10H,1-3H3,(H,16,18)
InChIKeyPVWJFMUHZOQNHU-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 56788300) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID56788300
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1NC(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C14H15BrN2O3/c1-8-13(9(2)20-17-8)16-14(18)10(3)19-12-7-5-4-6-11(12)15/h4-7,10H,1-3H3,(H,16,18)
InChIKeyPVWJFMUHZOQNHU-UHFFFAOYSA-N
XLogP3.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-bromophenoxy)-N-(1,2-oxazol-3-yl)propanamide
CID 42561678
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
CID 86940569
2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 6472883
(2R)-2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 40639361
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
CID 45147944
(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide
CID 97065455
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxypropanamide
CID 130616947
2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78888618
4-[2-(2-bromophenoxy)propanoylamino]benzamide
CID 84603766

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 56788300) is 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1NC(=O)C(C)Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is PVWJFMUHZOQNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8-13(9(2)20-17-8)16-14(18)10(3)19-12-7-5-4-6-11(12)15/h4-7,10H,1-3H3,(H,16,18).
What are the key properties of 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 339.19 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 56788300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).