3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C19H17N5O — CID 138682567

IUPAC3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(Cn3cccn3)cc2)no1
InChIInChI=1S/C19H17N5O/c20-19-17(3-1-8-21-19)18-12-16(23-25-18)11-14-4-6-15(7-5-14)13-24-10-2-9-22-24/h1-10,12H,11,13H2,(H2,20,21)
InChIKeyKHYNDSUYQCDEGL-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.15
Rot. Bonds5

About 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682567) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682567
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(Cn3cccn3)cc2)no1
InChIInChI=1S/C19H17N5O/c20-19-17(3-1-8-21-19)18-12-16(23-25-18)11-14-4-6-15(7-5-14)13-24-10-2-9-22-24/h1-10,12H,11,13H2,(H2,20,21)
InChIKeyKHYNDSUYQCDEGL-UHFFFAOYSA-N
XLogP3.15
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682567) is 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(Cn3cccn3)cc2)no1.
What is the InChIKey of 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is KHYNDSUYQCDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-19-17(3-1-8-21-19)18-12-16(23-25-18)11-14-4-6-15(7-5-14)13-24-10-2-9-22-24/h1-10,12H,11,13H2,(H2,20,21).
What are the key properties of 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).