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

C15H18N4O2 — CID 29215775

IUPACN-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CN(C)Cc2cc(-c3ccc(C)o3)n[nH]2)on1
InChIInChI=1S/C15H18N4O2/c1-10-6-13(21-18-10)9-19(3)8-12-7-14(17-16-12)15-5-4-11(2)20-15/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyRHMUEPQPEFHSKJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.91
Rot. Bonds5

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

N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 29215775) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID29215775
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CN(C)Cc2cc(-c3ccc(C)o3)n[nH]2)on1
InChIInChI=1S/C15H18N4O2/c1-10-6-13(21-18-10)9-19(3)8-12-7-14(17-16-12)15-5-4-11(2)20-15/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyRHMUEPQPEFHSKJ-UHFFFAOYSA-N
XLogP2.91
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (CID 29215775) is N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is Cc1cc(CN(C)Cc2cc(-c3ccc(C)o3)n[nH]2)on1.
What is the InChIKey of N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is RHMUEPQPEFHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-6-13(21-18-10)9-19(3)8-12-7-14(17-16-12)15-5-4-11(2)20-15/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 286.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 29215775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).