N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide

C16H18N6O2 — CID 75378134

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide
SMILESCc1cc(NC(=O)C(C)Nc2ccn(Cc3ccccn3)n2)on1
InChIInChI=1S/C16H18N6O2/c1-11-9-15(24-21-11)19-16(23)12(2)18-14-6-8-22(20-14)10-13-5-3-4-7-17-13/h3-9,12H,10H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyDSJGPIMOQXRYFP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.06
Rot. Bonds6

About N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide

N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide (PubChem CID 75378134) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide
PubChem CID75378134
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide
SMILESCc1cc(NC(=O)C(C)Nc2ccn(Cc3ccccn3)n2)on1
InChIInChI=1S/C16H18N6O2/c1-11-9-15(24-21-11)19-16(23)12(2)18-14-6-8-22(20-14)10-13-5-3-4-7-17-13/h3-9,12H,10H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyDSJGPIMOQXRYFP-UHFFFAOYSA-N
XLogP2.06
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide (CID 75378134) is N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide is Cc1cc(NC(=O)C(C)Nc2ccn(Cc3ccccn3)n2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide?
The InChIKey is DSJGPIMOQXRYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-9-15(24-21-11)19-16(23)12(2)18-14-6-8-22(20-14)10-13-5-3-4-7-17-13/h3-9,12H,10H2,1-2H3,(H,18,20)(H,19,23).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide has a molecular weight of 326.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide is sourced from PubChem (CID 75378134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).