3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine

C11H16N4O — CID 65178649

IUPAC3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1c(-c2cnc(CCCN)o2)cnn1C
InChIInChI=1S/C11H16N4O/c1-8-9(6-14-15(8)2)10-7-13-11(16-10)4-3-5-12/h6-7H,3-5,12H2,1-2H3
InChIKeySUYXQNPWMFNBMX-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.27
Rot. Bonds4

About 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178649) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178649
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1c(-c2cnc(CCCN)o2)cnn1C
InChIInChI=1S/C11H16N4O/c1-8-9(6-14-15(8)2)10-7-13-11(16-10)4-3-5-12/h6-7H,3-5,12H2,1-2H3
InChIKeySUYXQNPWMFNBMX-UHFFFAOYSA-N
XLogP1.27
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178649) is 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine is Cc1c(-c2cnc(CCCN)o2)cnn1C.
What is the InChIKey of 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is SUYXQNPWMFNBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-9(6-14-15(8)2)10-7-13-11(16-10)4-3-5-12/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).