4,5-dihydro-1,3-benzoxazol-2-amine

C7H8N2O — CID 131993927

IUPAC4,5-dihydro-1,3-benzoxazol-2-amine
SMILESNc1nc2c(o1)C=CCC2
InChIInChI=1S/C7H8N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h2,4H,1,3H2,(H2,8,9)
InChIKeyKQNRMHQJNNIKDD-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.22
Rot. Bonds

About 4,5-dihydro-1,3-benzoxazol-2-amine

4,5-dihydro-1,3-benzoxazol-2-amine (PubChem CID 131993927) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 4,5-dihydro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4,5-dihydro-1,3-benzoxazol-2-amine
PubChem CID131993927
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name4,5-dihydro-1,3-benzoxazol-2-amine
SMILESNc1nc2c(o1)C=CCC2
InChIInChI=1S/C7H8N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h2,4H,1,3H2,(H2,8,9)
InChIKeyKQNRMHQJNNIKDD-UHFFFAOYSA-N
XLogP1.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-benzoxazol-2-amine?
The IUPAC name of 4,5-dihydro-1,3-benzoxazol-2-amine (CID 131993927) is 4,5-dihydro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4,5-dihydro-1,3-benzoxazol-2-amine?
The canonical SMILES for 4,5-dihydro-1,3-benzoxazol-2-amine is Nc1nc2c(o1)C=CCC2.
What is the InChIKey of 4,5-dihydro-1,3-benzoxazol-2-amine?
The InChIKey is KQNRMHQJNNIKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h2,4H,1,3H2,(H2,8,9).
What are the key properties of 4,5-dihydro-1,3-benzoxazol-2-amine?
4,5-dihydro-1,3-benzoxazol-2-amine has a molecular weight of 136.15 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 131993927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).