N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C11H14N4O — CID 65184203

IUPACN-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCn1nccc1-c1cnc(CNC2CC2)o1
InChIInChI=1S/C11H14N4O/c1-15-9(4-5-14-15)10-6-13-11(16-10)7-12-8-2-3-8/h4-6,8,12H,2-3,7H2,1H3
InChIKeyXPJFFZWKVYUZNF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.33
Rot. Bonds4

About N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65184203) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65184203
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCn1nccc1-c1cnc(CNC2CC2)o1
InChIInChI=1S/C11H14N4O/c1-15-9(4-5-14-15)10-6-13-11(16-10)7-12-8-2-3-8/h4-6,8,12H,2-3,7H2,1H3
InChIKeyXPJFFZWKVYUZNF-UHFFFAOYSA-N
XLogP1.33
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65184203) is N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is Cn1nccc1-c1cnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is XPJFFZWKVYUZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-9(4-5-14-15)10-6-13-11(16-10)7-12-8-2-3-8/h4-6,8,12H,2-3,7H2,1H3.
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 218.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65184203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).