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

C16H14ClN3O — CID 56670373

IUPACN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESClc1ccccc1-c1nc(CNCc2ccncc2)co1
InChIInChI=1S/C16H14ClN3O/c17-15-4-2-1-3-14(15)16-20-13(11-21-16)10-19-9-12-5-7-18-8-6-12/h1-8,11,19H,9-10H2
InChIKeyDMRSDYUUTBCGDS-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.68
Rot. Bonds5

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

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 56670373) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID56670373
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESClc1ccccc1-c1nc(CNCc2ccncc2)co1
InChIInChI=1S/C16H14ClN3O/c17-15-4-2-1-3-14(15)16-20-13(11-21-16)10-19-9-12-5-7-18-8-6-12/h1-8,11,19H,9-10H2
InChIKeyDMRSDYUUTBCGDS-UHFFFAOYSA-N
XLogP3.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine (CID 56670373) is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine is Clc1ccccc1-c1nc(CNCc2ccncc2)co1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is DMRSDYUUTBCGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-15-4-2-1-3-14(15)16-20-13(11-21-16)10-19-9-12-5-7-18-8-6-12/h1-8,11,19H,9-10H2.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine?
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 299.76 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 56670373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).