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

C13H14N4O2 — CID 71975797

IUPAC2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(NCc3ccn[nH]3)ccc2o1
InChIInChI=1S/C13H14N4O2/c1-18-8-13-16-11-6-9(2-3-12(11)19-13)14-7-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3,(H,15,17)
InChIKeyHLVYEEYOAXABMH-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.31
Rot. Bonds5

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

2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 71975797) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID71975797
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(NCc3ccn[nH]3)ccc2o1
InChIInChI=1S/C13H14N4O2/c1-18-8-13-16-11-6-9(2-3-12(11)19-13)14-7-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3,(H,15,17)
InChIKeyHLVYEEYOAXABMH-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 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine (CID 71975797) is 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine is COCc1nc2cc(NCc3ccn[nH]3)ccc2o1.
What is the InChIKey of 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is HLVYEEYOAXABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-18-8-13-16-11-6-9(2-3-12(11)19-13)14-7-10-4-5-15-17-10/h2-6,14H,7-8H2,1H3,(H,15,17).
What are the key properties of 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine?
2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-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 2-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 71975797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).