N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide

C16H13BrN2O2 — CID 738874

IUPACN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C16H13BrN2O2/c1-2-15(20)18-10-7-8-14-13(9-10)19-16(21-14)11-5-3-4-6-12(11)17/h3-9H,2H2,1H3,(H,18,20)
InChIKeyVHPMXIAITVEOMD-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.61
Rot. Bonds3

About N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 738874) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID738874
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C16H13BrN2O2/c1-2-15(20)18-10-7-8-14-13(9-10)19-16(21-14)11-5-3-4-6-12(11)17/h3-9H,2H2,1H3,(H,18,20)
InChIKeyVHPMXIAITVEOMD-UHFFFAOYSA-N
XLogP4.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide (CID 738874) is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide is CCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1.
What is the InChIKey of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is VHPMXIAITVEOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-2-15(20)18-10-7-8-14-13(9-10)19-16(21-14)11-5-3-4-6-12(11)17/h3-9H,2H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide?
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 345.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 738874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).