1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C17H21N5O2 — CID 120867679

IUPAC1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCOc1cn(-c2ccccc2)nc1-c1nc(CC(C)NC)no1
InChIInChI=1S/C17H21N5O2/c1-4-23-14-11-22(13-8-6-5-7-9-13)20-16(14)17-19-15(21-24-17)10-12(2)18-3/h5-9,11-12,18H,4,10H2,1-3H3
InChIKeyCFIFQOFUYOETHB-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.47
Rot. Bonds7

About 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120867679) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120867679
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCOc1cn(-c2ccccc2)nc1-c1nc(CC(C)NC)no1
InChIInChI=1S/C17H21N5O2/c1-4-23-14-11-22(13-8-6-5-7-9-13)20-16(14)17-19-15(21-24-17)10-12(2)18-3/h5-9,11-12,18H,4,10H2,1-3H3
InChIKeyCFIFQOFUYOETHB-UHFFFAOYSA-N
XLogP2.47
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867649
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867648
N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869107
1-[5-[4-bromo-1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867125
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 166237340
1-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866887
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655
1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866604
1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854456
N-methyl-1-[5-(1-methyl-5-phenylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868941
N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869465

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120867679) is 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CCOc1cn(-c2ccccc2)nc1-c1nc(CC(C)NC)no1.
What is the InChIKey of 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is CFIFQOFUYOETHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-23-14-11-22(13-8-6-5-7-9-13)20-16(14)17-19-15(21-24-17)10-12(2)18-3/h5-9,11-12,18H,4,10H2,1-3H3.
What are the key properties of 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 327.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120867679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).