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

C13H16N2O2 — CID 119138512

IUPAC1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine
SMILESCOCc1ccc(CNCc2cocn2)cc1
InChIInChI=1S/C13H16N2O2/c1-16-8-12-4-2-11(3-5-12)6-14-7-13-9-17-10-15-13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyVUSBAYOOTBVDBH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.11
Rot. Bonds6

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

1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine (PubChem CID 119138512) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine
PubChem CID119138512
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine
SMILESCOCc1ccc(CNCc2cocn2)cc1
InChIInChI=1S/C13H16N2O2/c1-16-8-12-4-2-11(3-5-12)6-14-7-13-9-17-10-15-13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyVUSBAYOOTBVDBH-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

1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119138516
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884557
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119125663
1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60977325
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 86808500
N-[[4-(methoxymethyl)phenyl]methyl]-2-(triazol-1-yl)ethanamine
CID 113375117
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 60751688
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine (CID 119138512) is 1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine is COCc1ccc(CNCc2cocn2)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine?
The InChIKey is VUSBAYOOTBVDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-8-12-4-2-11(3-5-12)6-14-7-13-9-17-10-15-13/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine?
1-[4-(methoxymethyl)phenyl]-N-(1,3-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-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine is sourced from PubChem (CID 119138512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).