N,N-dimethyl-1,3-benzoxazol-4-amine

C9H10N2O — CID 138489178

IUPACN,N-dimethyl-1,3-benzoxazol-4-amine
SMILESCN(C)c1cccc2ocnc12
InChIInChI=1S/C9H10N2O/c1-11(2)7-4-3-5-8-9(7)10-6-12-8/h3-6H,1-2H3
InChIKeyNINAVASJQOUKIR-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.89
Rot. Bonds1

About N,N-dimethyl-1,3-benzoxazol-4-amine

N,N-dimethyl-1,3-benzoxazol-4-amine (PubChem CID 138489178) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N,N-dimethyl-1,3-benzoxazol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,3-benzoxazol-4-amine
PubChem CID138489178
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN,N-dimethyl-1,3-benzoxazol-4-amine
SMILESCN(C)c1cccc2ocnc12
InChIInChI=1S/C9H10N2O/c1-11(2)7-4-3-5-8-9(7)10-6-12-8/h3-6H,1-2H3
InChIKeyNINAVASJQOUKIR-UHFFFAOYSA-N
XLogP1.89
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-benzoxazol-4-amine?
The IUPAC name of N,N-dimethyl-1,3-benzoxazol-4-amine (CID 138489178) is N,N-dimethyl-1,3-benzoxazol-4-amine.
What is the SMILES notation for N,N-dimethyl-1,3-benzoxazol-4-amine?
The canonical SMILES for N,N-dimethyl-1,3-benzoxazol-4-amine is CN(C)c1cccc2ocnc12.
What is the InChIKey of N,N-dimethyl-1,3-benzoxazol-4-amine?
The InChIKey is NINAVASJQOUKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11(2)7-4-3-5-8-9(7)10-6-12-8/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-1,3-benzoxazol-4-amine?
N,N-dimethyl-1,3-benzoxazol-4-amine has a molecular weight of 162.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-benzoxazol-4-amine is sourced from PubChem (CID 138489178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).