N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C22H19FN4O3 — CID 126842418

IUPACN-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cccc(F)c3)c2)c1
InChIInChI=1S/C22H19FN4O3/c1-15-4-2-5-16(10-15)21-20(24-14-30-21)22(28)26-18-12-25-27(13-18)8-9-29-19-7-3-6-17(23)11-19/h2-7,10-14H,8-9H2,1H3,(H,26,28)
InChIKeyDSXDLHOBZOZXGY-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.32
Rot. Bonds7

About N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 126842418) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID126842418
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cccc(F)c3)c2)c1
InChIInChI=1S/C22H19FN4O3/c1-15-4-2-5-16(10-15)21-20(24-14-30-21)22(28)26-18-12-25-27(13-18)8-9-29-19-7-3-6-17(23)11-19/h2-7,10-14H,8-9H2,1H3,(H,26,28)
InChIKeyDSXDLHOBZOZXGY-UHFFFAOYSA-N
XLogP4.32
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 66928374
N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 66929054
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488442
N-(2,5-dimethoxyphenyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963718
N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 42647244
5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 20963749
ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
CID 20963655
4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444819
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 126842418) is N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cccc(F)c3)c2)c1.
What is the InChIKey of N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DSXDLHOBZOZXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-15-4-2-5-16(10-15)21-20(24-14-30-21)22(28)26-18-12-25-27(13-18)8-9-29-19-7-3-6-17(23)11-19/h2-7,10-14H,8-9H2,1H3,(H,26,28).
What are the key properties of N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).