N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine

C16H16N4O — CID 81452642

IUPACN-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc(-n2cc(-c3oncc3CNC3CC3)cn2)cc1
InChIInChI=1S/C16H16N4O/c1-2-4-15(5-3-1)20-11-13(9-18-20)16-12(10-19-21-16)8-17-14-6-7-14/h1-5,9-11,14,17H,6-8H2
InChIKeyNPTVFPWAUIXWGK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.78
Rot. Bonds5

About N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine

N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 81452642) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID81452642
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc(-n2cc(-c3oncc3CNC3CC3)cn2)cc1
InChIInChI=1S/C16H16N4O/c1-2-4-15(5-3-1)20-11-13(9-18-20)16-12(10-19-21-16)8-17-14-6-7-14/h1-5,9-11,14,17H,6-8H2
InChIKeyNPTVFPWAUIXWGK-UHFFFAOYSA-N
XLogP2.78
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine (CID 81452642) is N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine is c1ccc(-n2cc(-c3oncc3CNC3CC3)cn2)cc1.
What is the InChIKey of N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NPTVFPWAUIXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-4-15(5-3-1)20-11-13(9-18-20)16-12(10-19-21-16)8-17-14-6-7-14/h1-5,9-11,14,17H,6-8H2.
What are the key properties of N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 280.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81452642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).