3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide

C18H24N4O2 — CID 46984820

IUPAC3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
SMILESO=C(CCN1CCCCO1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H24N4O2/c23-18(9-12-21-11-4-5-13-24-21)19-10-8-16-14-20-22(15-16)17-6-2-1-3-7-17/h1-3,6-7,14-15H,4-5,8-13H2,(H,19,23)
InChIKeyRJPSWEGIJZRCGC-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.95
Rot. Bonds7

About 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide

3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide (PubChem CID 46984820) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
PubChem CID46984820
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
SMILESO=C(CCN1CCCCO1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H24N4O2/c23-18(9-12-21-11-4-5-13-24-21)19-10-8-16-14-20-22(15-16)17-6-2-1-3-7-17/h1-3,6-7,14-15H,4-5,8-13H2,(H,19,23)
InChIKeyRJPSWEGIJZRCGC-UHFFFAOYSA-N
XLogP1.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
CID 119700590
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878

Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide (CID 46984820) is 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide is O=C(CCN1CCCCO1)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is RJPSWEGIJZRCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(9-12-21-11-4-5-13-24-21)19-10-8-16-14-20-22(15-16)17-6-2-1-3-7-17/h1-3,6-7,14-15H,4-5,8-13H2,(H,19,23).
What are the key properties of 3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide?
3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.95, 7 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-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 46984820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).