3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide

C18H24N4O2 — CID 46993873

IUPAC3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCN1CCCCO1)c1ccccc1-n1cccn1
InChIInChI=1S/C18H24N4O2/c1-15(20-18(23)9-13-21-11-4-5-14-24-21)16-7-2-3-8-17(16)22-12-6-10-19-22/h2-3,6-8,10,12,15H,4-5,9,11,13-14H2,1H3,(H,20,23)
InChIKeyCNKSFBHCDMVZDA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.47
Rot. Bonds6

About 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide

3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 46993873) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID46993873
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCN1CCCCO1)c1ccccc1-n1cccn1
InChIInChI=1S/C18H24N4O2/c1-15(20-18(23)9-13-21-11-4-5-14-24-21)16-7-2-3-8-17(16)22-12-6-10-19-22/h2-3,6-8,10,12,15H,4-5,9,11,13-14H2,1H3,(H,20,23)
InChIKeyCNKSFBHCDMVZDA-UHFFFAOYSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide (CID 46993873) is 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide is CC(NC(=O)CCN1CCCCO1)c1ccccc1-n1cccn1.
What is the InChIKey of 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is CNKSFBHCDMVZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-15(20-18(23)9-13-21-11-4-5-14-24-21)16-7-2-3-8-17(16)22-12-6-10-19-22/h2-3,6-8,10,12,15H,4-5,9,11,13-14H2,1H3,(H,20,23).
What are the key properties of 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide?
3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 46993873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).