N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen

C9H14N2O — CID 176929137

IUPACN,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen
SMILESCNc1nc2c(o1)C=C(C)CC2.[H][H]
InChIInChI=1S/C9H12N2O.H2/c1-6-3-4-7-8(5-6)12-9(10-2)11-7;/h5H,3-4H2,1-2H3,(H,10,11);1H
InChIKeyZLBNWBICVLAIQV-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.31
Rot. Bonds1

About N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen

N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen (PubChem CID 176929137) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen
PubChem CID176929137
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen
SMILESCNc1nc2c(o1)C=C(C)CC2.[H][H]
InChIInChI=1S/C9H12N2O.H2/c1-6-3-4-7-8(5-6)12-9(10-2)11-7;/h5H,3-4H2,1-2H3,(H,10,11);1H
InChIKeyZLBNWBICVLAIQV-UHFFFAOYSA-N
XLogP2.31
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen?
The IUPAC name of N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen (CID 176929137) is N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen.
What is the SMILES notation for N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen?
The canonical SMILES for N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen is CNc1nc2c(o1)C=C(C)CC2.[H][H].
What is the InChIKey of N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen?
The InChIKey is ZLBNWBICVLAIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.H2/c1-6-3-4-7-8(5-6)12-9(10-2)11-7;/h5H,3-4H2,1-2H3,(H,10,11);1H.
What are the key properties of N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen?
N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen has a molecular weight of 166.22 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen is sourced from PubChem (CID 176929137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).