N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine

C13H14N4O2 — CID 71975798

IUPACN-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(NCc3ncc[nH]3)ccc2o1
InChIInChI=1S/C13H14N4O2/c1-18-8-13-17-10-6-9(2-3-11(10)19-13)16-7-12-14-4-5-15-12/h2-6,16H,7-8H2,1H3,(H,14,15)
InChIKeyRXLAJXBZOWLRHI-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.31
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine

N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine (PubChem CID 71975798) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine
PubChem CID71975798
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(NCc3ncc[nH]3)ccc2o1
InChIInChI=1S/C13H14N4O2/c1-18-8-13-17-10-6-9(2-3-11(10)19-13)16-7-12-14-4-5-15-12/h2-6,16H,7-8H2,1H3,(H,14,15)
InChIKeyRXLAJXBZOWLRHI-UHFFFAOYSA-N
XLogP2.31
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine (CID 71975798) is N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine is COCc1nc2cc(NCc3ncc[nH]3)ccc2o1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine?
The InChIKey is RXLAJXBZOWLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-18-8-13-17-10-6-9(2-3-11(10)19-13)16-7-12-14-4-5-15-12/h2-6,16H,7-8H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine?
N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine has a molecular weight of 258.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 71975798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).