[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine

C10H12N2O2 — CID 82357690

IUPAC[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
SMILESCOCc1nc2cc(CN)ccc2o1
InChIInChI=1S/C10H12N2O2/c1-13-6-10-12-8-4-7(5-11)2-3-9(8)14-10/h2-4H,5-6,11H2,1H3
InChIKeyMCKSQBIWKOOVCG-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.43
Rot. Bonds3

About [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine

[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine (PubChem CID 82357690) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
PubChem CID82357690
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
SMILESCOCc1nc2cc(CN)ccc2o1
InChIInChI=1S/C10H12N2O2/c1-13-6-10-12-8-4-7(5-11)2-3-9(8)14-10/h2-4H,5-6,11H2,1H3
InChIKeyMCKSQBIWKOOVCG-UHFFFAOYSA-N
XLogP1.43
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
CID 83949465
2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
CID 83949471
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357676
7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
CID 119815437
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole
CID 168977711
N-[[3-(aminomethyl)phenyl]methyl]-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methoxy]acetamide
CID 15513408
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine?
The IUPAC name of [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine (CID 82357690) is [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine.
What is the SMILES notation for [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine?
The canonical SMILES for [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine is COCc1nc2cc(CN)ccc2o1.
What is the InChIKey of [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine?
The InChIKey is MCKSQBIWKOOVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-13-6-10-12-8-4-7(5-11)2-3-9(8)14-10/h2-4H,5-6,11H2,1H3.
What are the key properties of [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine?
[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine has a molecular weight of 192.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine is sourced from PubChem (CID 82357690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).