3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

C15H14FN5O3 — CID 121022135

IUPAC3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cc1F
InChIInChI=1S/C15H14FN5O3/c1-21-8-10(6-18-21)14-19-13(24-20-14)7-17-15(22)9-3-4-12(23-2)11(16)5-9/h3-6,8H,7H2,1-2H3,(H,17,22)
InChIKeyDPEJJJAHEYLTTD-UHFFFAOYSA-N
MW331.31 g/mol
LogP1.55
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 121022135) has the molecular formula C15H14FN5O3 and a molecular weight of 331.31 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID121022135
Molecular FormulaC15H14FN5O3
Molecular Weight331.31 g/mol
Exact Mass331.11
IUPAC Name3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cc1F
InChIInChI=1S/C15H14FN5O3/c1-21-8-10(6-18-21)14-19-13(24-20-14)7-17-15(22)9-3-4-12(23-2)11(16)5-9/h3-6,8H,7H2,1-2H3,(H,17,22)
InChIKeyDPEJJJAHEYLTTD-UHFFFAOYSA-N
XLogP1.55
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022353
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666505
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 119104940
2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121195077
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121022168
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-oxobutanamide
CID 3161681
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 121022135) is 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is DPEJJJAHEYLTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O3/c1-21-8-10(6-18-21)14-19-13(24-20-14)7-17-15(22)9-3-4-12(23-2)11(16)5-9/h3-6,8H,7H2,1-2H3,(H,17,22).
What are the key properties of 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 331.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 121022135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).