4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C23H21FN4O3 — CID 29096739

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1
InChIInChI=1S/C23H21FN4O3/c1-15-22(16(2)31-27-15)14-30-21-8-6-18(7-9-21)23(29)26-20-11-25-28(13-20)12-17-4-3-5-19(24)10-17/h3-11,13H,12,14H2,1-2H3,(H,26,29)
InChIKeyNQJLQJLWPXKAMV-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.51
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 29096739) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID29096739
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1
InChIInChI=1S/C23H21FN4O3/c1-15-22(16(2)31-27-15)14-30-21-8-6-18(7-9-21)23(29)26-20-11-25-28(13-20)12-17-4-3-5-19(24)10-17/h3-11,13H,12,14H2,1-2H3,(H,26,29)
InChIKeyNQJLQJLWPXKAMV-UHFFFAOYSA-N
XLogP4.51
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 29096739) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is NQJLQJLWPXKAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-15-22(16(2)31-27-15)14-30-21-8-6-18(7-9-21)23(29)26-20-11-25-28(13-20)12-17-4-3-5-19(24)10-17/h3-11,13H,12,14H2,1-2H3,(H,26,29).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 420.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 29096739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).