5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide

C13H13BrN2O2 — CID 3241419

IUPAC5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C13H13BrN2O2/c1-2-7-15-13(17)11-8-12(18-16-11)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKeyPWHHISQKXKECNY-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.24
Rot. Bonds4

About 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide

5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide (PubChem CID 3241419) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide
PubChem CID3241419
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C13H13BrN2O2/c1-2-7-15-13(17)11-8-12(18-16-11)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKeyPWHHISQKXKECNY-UHFFFAOYSA-N
XLogP3.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide (CID 3241419) is 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide is CCCNC(=O)c1cc(-c2ccc(Br)cc2)on1.
What is the InChIKey of 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is PWHHISQKXKECNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-7-15-13(17)11-8-12(18-16-11)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17).
What are the key properties of 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide?
5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3241419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).