N-ethyl-2-methyl-1,3-benzoxazol-5-amine

C10H12N2O — CID 28676121

IUPACN-ethyl-2-methyl-1,3-benzoxazol-5-amine
SMILESCCNc1ccc2oc(C)nc2c1
InChIInChI=1S/C10H12N2O/c1-3-11-8-4-5-10-9(6-8)12-7(2)13-10/h4-6,11H,3H2,1-2H3
InChIKeyLEXZONXVDMRVKB-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.57
Rot. Bonds2

About N-ethyl-2-methyl-1,3-benzoxazol-5-amine

N-ethyl-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 28676121) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-ethyl-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1,3-benzoxazol-5-amine
PubChem CID28676121
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-ethyl-2-methyl-1,3-benzoxazol-5-amine
SMILESCCNc1ccc2oc(C)nc2c1
InChIInChI=1S/C10H12N2O/c1-3-11-8-4-5-10-9(6-8)12-7(2)13-10/h4-6,11H,3H2,1-2H3
InChIKeyLEXZONXVDMRVKB-UHFFFAOYSA-N
XLogP2.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-ethyl-2-methyl-1,3-benzoxazol-5-amine (CID 28676121) is N-ethyl-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-ethyl-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-ethyl-2-methyl-1,3-benzoxazol-5-amine is CCNc1ccc2oc(C)nc2c1.
What is the InChIKey of N-ethyl-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is LEXZONXVDMRVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-11-8-4-5-10-9(6-8)12-7(2)13-10/h4-6,11H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-1,3-benzoxazol-5-amine?
N-ethyl-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 176.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 28676121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).