N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C12H16N4O — CID 65184308

IUPACN-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCc1c(-c2cnc(CNC3CC3)o2)cnn1C
InChIInChI=1S/C12H16N4O/c1-8-10(5-15-16(8)2)11-6-14-12(17-11)7-13-9-3-4-9/h5-6,9,13H,3-4,7H2,1-2H3
InChIKeyOGHGURVJEGHJBY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.64
Rot. Bonds4

About N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65184308) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65184308
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCc1c(-c2cnc(CNC3CC3)o2)cnn1C
InChIInChI=1S/C12H16N4O/c1-8-10(5-15-16(8)2)11-6-14-12(17-11)7-13-9-3-4-9/h5-6,9,13H,3-4,7H2,1-2H3
InChIKeyOGHGURVJEGHJBY-UHFFFAOYSA-N
XLogP1.64
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65184308) is N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is Cc1c(-c2cnc(CNC3CC3)o2)cnn1C.
What is the InChIKey of N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is OGHGURVJEGHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-10(5-15-16(8)2)11-6-14-12(17-11)7-13-9-3-4-9/h5-6,9,13H,3-4,7H2,1-2H3.
What are the key properties of N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 232.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65184308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).