3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine

C10H12N4O — CID 170537548

IUPAC3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine
SMILESNc1cccc(CNc2ccon2)c1N
InChIInChI=1S/C10H12N4O/c11-8-3-1-2-7(10(8)12)6-13-9-4-5-15-14-9/h1-5H,6,11-12H2,(H,13,14)
InChIKeyIWUVIMOLURAFKM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.45
Rot. Bonds3

About 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine

3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine (PubChem CID 170537548) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine
PubChem CID170537548
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine
SMILESNc1cccc(CNc2ccon2)c1N
InChIInChI=1S/C10H12N4O/c11-8-3-1-2-7(10(8)12)6-13-9-4-5-15-14-9/h1-5H,6,11-12H2,(H,13,14)
InChIKeyIWUVIMOLURAFKM-UHFFFAOYSA-N
XLogP1.45
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine?
The IUPAC name of 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine (CID 170537548) is 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine is Nc1cccc(CNc2ccon2)c1N.
What is the InChIKey of 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine?
The InChIKey is IWUVIMOLURAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-8-3-1-2-7(10(8)12)6-13-9-4-5-15-14-9/h1-5H,6,11-12H2,(H,13,14).
What are the key properties of 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine?
3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine has a molecular weight of 204.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine is sourced from PubChem (CID 170537548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).