5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine

C18H20ClN5O — CID 56756336

IUPAC5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(CN(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cn1
InChIInChI=1S/C18H20ClN5O/c1-12-16(23-17(25-12)14-5-4-6-15(19)7-14)11-24(3)10-13-8-21-18(20-2)22-9-13/h4-9H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyYNCAGBQKMQERHW-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.77
Rot. Bonds6

About 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine

5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine (PubChem CID 56756336) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine
PubChem CID56756336
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(CN(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cn1
InChIInChI=1S/C18H20ClN5O/c1-12-16(23-17(25-12)14-5-4-6-15(19)7-14)11-24(3)10-13-8-21-18(20-2)22-9-13/h4-9H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyYNCAGBQKMQERHW-UHFFFAOYSA-N
XLogP3.77
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine (CID 56756336) is 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine is CNc1ncc(CN(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cn1.
What is the InChIKey of 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine?
The InChIKey is YNCAGBQKMQERHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-12-16(23-17(25-12)14-5-4-6-15(19)7-14)11-24(3)10-13-8-21-18(20-2)22-9-13/h4-9H,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine?
5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine has a molecular weight of 357.85 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 56756336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).