3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide

C18H20N6O4 — CID 121092039

IUPAC3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H20N6O4/c1-23(18(26)13-10-24(2)21-17(13)27-3)11-14(25)19-9-15-20-16(22-28-15)12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,19,25)
InChIKeyBBNCBTMREQHTPY-UHFFFAOYSA-N
MW384.40 g/mol
LogP0.87
Rot. Bonds7

About 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide

3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide (PubChem CID 121092039) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide
PubChem CID121092039
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H20N6O4/c1-23(18(26)13-10-24(2)21-17(13)27-3)11-14(25)19-9-15-20-16(22-28-15)12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,19,25)
InChIKeyBBNCBTMREQHTPY-UHFFFAOYSA-N
XLogP0.87
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 121092281
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121022168
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
3-methoxy-N,1-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121092202
ethyl 4-[[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]amino]benzoate
CID 121092151
3-methoxy-1-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 71800518
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-quinazolin-4-yloxyacetamide
CID 46964275
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110323125
2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide (CID 121092039) is 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(C)CC(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide?
The InChIKey is BBNCBTMREQHTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-23(18(26)13-10-24(2)21-17(13)27-3)11-14(25)19-9-15-20-16(22-28-15)12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,19,25).
What are the key properties of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide?
3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121092039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).