N-(1,3-benzoxazol-2-ylamino)formamide

C8H7N3O2 — CID 15893148

IUPACN-(1,3-benzoxazol-2-ylamino)formamide
SMILESO=CNNc1nc2ccccc2o1
InChIInChI=1S/C8H7N3O2/c12-5-9-11-8-10-6-3-1-2-4-7(6)13-8/h1-5H,(H,9,12)(H,10,11)
InChIKeyQQFRYMATMVNXEZ-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.90
Rot. Bonds3

About N-(1,3-benzoxazol-2-ylamino)formamide

N-(1,3-benzoxazol-2-ylamino)formamide (PubChem CID 15893148) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylamino)formamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylamino)formamide
PubChem CID15893148
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC NameN-(1,3-benzoxazol-2-ylamino)formamide
SMILESO=CNNc1nc2ccccc2o1
InChIInChI=1S/C8H7N3O2/c12-5-9-11-8-10-6-3-1-2-4-7(6)13-8/h1-5H,(H,9,12)(H,10,11)
InChIKeyQQFRYMATMVNXEZ-UHFFFAOYSA-N
XLogP0.90
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-benzoxazol-2-ylamino)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylamino)formamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylamino)formamide (CID 15893148) is N-(1,3-benzoxazol-2-ylamino)formamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylamino)formamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylamino)formamide is O=CNNc1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylamino)formamide?
The InChIKey is QQFRYMATMVNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-5-9-11-8-10-6-3-1-2-4-7(6)13-8/h1-5H,(H,9,12)(H,10,11).
What are the key properties of N-(1,3-benzoxazol-2-ylamino)formamide?
N-(1,3-benzoxazol-2-ylamino)formamide has a molecular weight of 177.16 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylamino)formamide is sourced from PubChem (CID 15893148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).