N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C16H19N5O2 — CID 134000948

IUPACN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCOc1ccc(-c2nc(CN(C)Cc3cnn(C)c3)no2)cc1
InChIInChI=1S/C16H19N5O2/c1-20(9-12-8-17-21(2)10-12)11-15-18-16(23-19-15)13-4-6-14(22-3)7-5-13/h4-8,10H,9,11H2,1-3H3
InChIKeyKRIDCHAGDTZBRO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.11
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 134000948) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID134000948
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCOc1ccc(-c2nc(CN(C)Cc3cnn(C)c3)no2)cc1
InChIInChI=1S/C16H19N5O2/c1-20(9-12-8-17-21(2)10-12)11-15-18-16(23-19-15)13-4-6-14(22-3)7-5-13/h4-8,10H,9,11H2,1-3H3
InChIKeyKRIDCHAGDTZBRO-UHFFFAOYSA-N
XLogP2.11
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 134000948) is N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is COc1ccc(-c2nc(CN(C)Cc3cnn(C)c3)no2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is KRIDCHAGDTZBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20(9-12-8-17-21(2)10-12)11-15-18-16(23-19-15)13-4-6-14(22-3)7-5-13/h4-8,10H,9,11H2,1-3H3.
What are the key properties of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 313.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 134000948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).