N-(1,2-benzoxazol-5-yl)formamide

C8H6N2O2 — CID 87322265

IUPACN-(1,2-benzoxazol-5-yl)formamide
SMILESO=CNc1ccc2oncc2c1
InChIInChI=1S/C8H6N2O2/c11-5-9-7-1-2-8-6(3-7)4-10-12-8/h1-5H,(H,9,11)
InChIKeyRZDYXDHMVYPXQS-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.40
Rot. Bonds2

About N-(1,2-benzoxazol-5-yl)formamide

N-(1,2-benzoxazol-5-yl)formamide (PubChem CID 87322265) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is N-(1,2-benzoxazol-5-yl)formamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-5-yl)formamide
PubChem CID87322265
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC NameN-(1,2-benzoxazol-5-yl)formamide
SMILESO=CNc1ccc2oncc2c1
InChIInChI=1S/C8H6N2O2/c11-5-9-7-1-2-8-6(3-7)4-10-12-8/h1-5H,(H,9,11)
InChIKeyRZDYXDHMVYPXQS-UHFFFAOYSA-N
XLogP1.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,2-benzoxazol-5-yl)formamide?
The IUPAC name of N-(1,2-benzoxazol-5-yl)formamide (CID 87322265) is N-(1,2-benzoxazol-5-yl)formamide.
What is the SMILES notation for N-(1,2-benzoxazol-5-yl)formamide?
The canonical SMILES for N-(1,2-benzoxazol-5-yl)formamide is O=CNc1ccc2oncc2c1.
What is the InChIKey of N-(1,2-benzoxazol-5-yl)formamide?
The InChIKey is RZDYXDHMVYPXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-5-9-7-1-2-8-6(3-7)4-10-12-8/h1-5H,(H,9,11).
What are the key properties of N-(1,2-benzoxazol-5-yl)formamide?
N-(1,2-benzoxazol-5-yl)formamide has a molecular weight of 162.15 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-5-yl)formamide is sourced from PubChem (CID 87322265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).