N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine

C17H19ClN4O — CID 70711879

IUPACN-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
SMILESCc1cc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)n[nH]1
InChIInChI=1S/C17H19ClN4O/c1-11-8-13(21-20-11)9-22(3)10-16-12(2)23-17(19-16)14-6-4-5-7-15(14)18/h4-8H,9-10H2,1-3H3,(H,20,21)
InChIKeyKAJBILUCKFUSAT-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.97
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine

N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine (PubChem CID 70711879) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
PubChem CID70711879
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
SMILESCc1cc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)n[nH]1
InChIInChI=1S/C17H19ClN4O/c1-11-8-13(21-20-11)9-22(3)10-16-12(2)23-17(19-16)14-6-4-5-7-15(14)18/h4-8H,9-10H2,1-3H3,(H,20,21)
InChIKeyKAJBILUCKFUSAT-UHFFFAOYSA-N
XLogP3.97
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.97
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)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine (CID 70711879) is N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine is Cc1cc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)n[nH]1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
The InChIKey is KAJBILUCKFUSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-11-8-13(21-20-11)9-22(3)10-16-12(2)23-17(19-16)14-6-4-5-7-15(14)18/h4-8H,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine?
N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine has a molecular weight of 330.82 g/mol, XLogP of 3.97, 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)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine is sourced from PubChem (CID 70711879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).