N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine

C17H17N3O2 — CID 56679488

IUPACN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1ccc(-c2nc(CNCc3ccccn3)co2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-16-7-5-13(6-8-16)17-20-15(12-22-17)11-18-10-14-4-2-3-9-19-14/h2-9,12,18H,10-11H2,1H3
InChIKeyYVCNAMSYJOXRDD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.04
Rot. Bonds6

About N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 56679488) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID56679488
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1ccc(-c2nc(CNCc3ccccn3)co2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-16-7-5-13(6-8-16)17-20-15(12-22-17)11-18-10-14-4-2-3-9-19-14/h2-9,12,18H,10-11H2,1H3
InChIKeyYVCNAMSYJOXRDD-UHFFFAOYSA-N
XLogP3.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine (CID 56679488) is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine is COc1ccc(-c2nc(CNCc3ccccn3)co2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is YVCNAMSYJOXRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-16-7-5-13(6-8-16)17-20-15(12-22-17)11-18-10-14-4-2-3-9-19-14/h2-9,12,18H,10-11H2,1H3.
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine?
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 295.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 56679488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).