1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine

C13H16N2O2 — CID 54896316

IUPAC1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine
SMILESCOCc1cccc(CNCc2cnoc2)c1
InChIInChI=1S/C13H16N2O2/c1-16-9-12-4-2-3-11(5-12)6-14-7-13-8-15-17-10-13/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyRXDNPCQBIHFPNS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.11
Rot. Bonds6

About 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine

1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine (PubChem CID 54896316) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine
PubChem CID54896316
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine
SMILESCOCc1cccc(CNCc2cnoc2)c1
InChIInChI=1S/C13H16N2O2/c1-16-9-12-4-2-3-11(5-12)6-14-7-13-8-15-17-10-13/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyRXDNPCQBIHFPNS-UHFFFAOYSA-N
XLogP2.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62347076
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 54898237
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60957310
N-[(1-ethenylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 106936577
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54896552

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine (CID 54896316) is 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine is COCc1cccc(CNCc2cnoc2)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine?
The InChIKey is RXDNPCQBIHFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-9-12-4-2-3-11(5-12)6-14-7-13-8-15-17-10-13/h2-5,8,10,14H,6-7,9H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine?
1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine has a molecular weight of 232.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine is sourced from PubChem (CID 54896316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).