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

C19H12BrN3O2 — CID 1114168

IUPACN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccnc1
InChIInChI=1S/C19H12BrN3O2/c20-15-6-2-1-5-14(15)19-23-16-10-13(7-8-17(16)25-19)22-18(24)12-4-3-9-21-11-12/h1-11H,(H,22,24)
InChIKeyKRXCZRLUXXDDEJ-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.90
Rot. Bonds3

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

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (PubChem CID 1114168) has the molecular formula C19H12BrN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
PubChem CID1114168
Molecular FormulaC19H12BrN3O2
Molecular Weight394.23 g/mol
Exact Mass393.01
IUPAC NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccnc1
InChIInChI=1S/C19H12BrN3O2/c20-15-6-2-1-5-14(15)19-23-16-10-13(7-8-17(16)25-19)22-18(24)12-4-3-9-21-11-12/h1-11H,(H,22,24)
InChIKeyKRXCZRLUXXDDEJ-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (CID 1114168) is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccnc1.
What is the InChIKey of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The InChIKey is KRXCZRLUXXDDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O2/c20-15-6-2-1-5-14(15)19-23-16-10-13(7-8-17(16)25-19)22-18(24)12-4-3-9-21-11-12/h1-11H,(H,22,24).
What are the key properties of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1114168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).