N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine

C16H20N4O — CID 167960060

IUPACN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine
SMILESCc1c(-c2cc(CNC3C4CC5C(C4)C53)on2)cnn1C
InChIInChI=1S/C16H20N4O/c1-8-13(7-18-20(8)2)14-5-10(21-19-14)6-17-16-9-3-11-12(4-9)15(11)16/h5,7,9,11-12,15-17H,3-4,6H2,1-2H3
InChIKeySDFOBFPNZMPJFY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds4

About N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine

N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine (PubChem CID 167960060) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine.

Molecular Properties

Compound NameN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine
PubChem CID167960060
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine
SMILESCc1c(-c2cc(CNC3C4CC5C(C4)C53)on2)cnn1C
InChIInChI=1S/C16H20N4O/c1-8-13(7-18-20(8)2)14-5-10(21-19-14)6-17-16-9-3-11-12(4-9)15(11)16/h5,7,9,11-12,15-17H,3-4,6H2,1-2H3
InChIKeySDFOBFPNZMPJFY-UHFFFAOYSA-N
XLogP2.13
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine?
The IUPAC name of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine (CID 167960060) is N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine.
What is the SMILES notation for N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine?
The canonical SMILES for N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine is Cc1c(-c2cc(CNC3C4CC5C(C4)C53)on2)cnn1C.
What is the InChIKey of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine?
The InChIKey is SDFOBFPNZMPJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-8-13(7-18-20(8)2)14-5-10(21-19-14)6-17-16-9-3-11-12(4-9)15(11)16/h5,7,9,11-12,15-17H,3-4,6H2,1-2H3.
What are the key properties of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine?
N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine is sourced from PubChem (CID 167960060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).