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

C12H16N4O — CID 65182010

IUPACN-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCn1nccc1-c1cnc(CCNC2CC2)o1
InChIInChI=1S/C12H16N4O/c1-16-10(4-7-15-16)11-8-14-12(17-11)5-6-13-9-2-3-9/h4,7-9,13H,2-3,5-6H2,1H3
InChIKeySTIVIOLWNSZBHW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.37
Rot. Bonds5

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

N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (PubChem CID 65182010) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
PubChem CID65182010
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCn1nccc1-c1cnc(CCNC2CC2)o1
InChIInChI=1S/C12H16N4O/c1-16-10(4-7-15-16)11-8-14-12(17-11)5-6-13-9-2-3-9/h4,7-9,13H,2-3,5-6H2,1H3
InChIKeySTIVIOLWNSZBHW-UHFFFAOYSA-N
XLogP1.37
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (CID 65182010) is N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is Cn1nccc1-c1cnc(CCNC2CC2)o1.
What is the InChIKey of N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is STIVIOLWNSZBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-10(4-7-15-16)11-8-14-12(17-11)5-6-13-9-2-3-9/h4,7-9,13H,2-3,5-6H2,1H3.
What are the key properties of N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 232.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 65182010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).