N-benzyl-1,3-oxazol-2-amine

C10H10N2O — CID 13301210

IUPACN-benzyl-1,3-oxazol-2-amine
SMILESc1ccc(CNc2ncco2)cc1
InChIInChI=1S/C10H10N2O/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-7H,8H2,(H,11,12)
InChIKeyVIEDXCGBECHMDX-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.29
Rot. Bonds3

About N-benzyl-1,3-oxazol-2-amine

N-benzyl-1,3-oxazol-2-amine (PubChem CID 13301210) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-benzyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-benzyl-1,3-oxazol-2-amine
PubChem CID13301210
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-benzyl-1,3-oxazol-2-amine
SMILESc1ccc(CNc2ncco2)cc1
InChIInChI=1S/C10H10N2O/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-7H,8H2,(H,11,12)
InChIKeyVIEDXCGBECHMDX-UHFFFAOYSA-N
XLogP2.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-oxazol-2-amine?
The IUPAC name of N-benzyl-1,3-oxazol-2-amine (CID 13301210) is N-benzyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-benzyl-1,3-oxazol-2-amine?
The canonical SMILES for N-benzyl-1,3-oxazol-2-amine is c1ccc(CNc2ncco2)cc1.
What is the InChIKey of N-benzyl-1,3-oxazol-2-amine?
The InChIKey is VIEDXCGBECHMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-7H,8H2,(H,11,12).
What are the key properties of N-benzyl-1,3-oxazol-2-amine?
N-benzyl-1,3-oxazol-2-amine has a molecular weight of 174.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-oxazol-2-amine is sourced from PubChem (CID 13301210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).