N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide

C15H10BrN3O3 — CID 141100811

IUPACN-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide
SMILESO=CNC(=O)N(c1cccc(Br)c1)c1ccc2ocnc2c1
InChIInChI=1S/C15H10BrN3O3/c16-10-2-1-3-11(6-10)19(15(21)17-8-20)12-4-5-14-13(7-12)18-9-22-14/h1-9H,(H,17,20,21)
InChIKeyIVWRVLYMZBSDQG-UHFFFAOYSA-N
MW360.17 g/mol
LogP3.59
Rot. Bonds3

About N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide

N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide (PubChem CID 141100811) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide
PubChem CID141100811
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC NameN-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide
SMILESO=CNC(=O)N(c1cccc(Br)c1)c1ccc2ocnc2c1
InChIInChI=1S/C15H10BrN3O3/c16-10-2-1-3-11(6-10)19(15(21)17-8-20)12-4-5-14-13(7-12)18-9-22-14/h1-9H,(H,17,20,21)
InChIKeyIVWRVLYMZBSDQG-UHFFFAOYSA-N
XLogP3.59
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide?
The IUPAC name of N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide (CID 141100811) is N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide.
What is the SMILES notation for N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide?
The canonical SMILES for N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide is O=CNC(=O)N(c1cccc(Br)c1)c1ccc2ocnc2c1.
What is the InChIKey of N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide?
The InChIKey is IVWRVLYMZBSDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c16-10-2-1-3-11(6-10)19(15(21)17-8-20)12-4-5-14-13(7-12)18-9-22-14/h1-9H,(H,17,20,21).
What are the key properties of N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide?
N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide has a molecular weight of 360.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide is sourced from PubChem (CID 141100811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).