3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide

C22H20N4O2 — CID 71837420

IUPAC3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3nc(Cn4cccn4)c(C)o3)cc2)c1
InChIInChI=1S/C22H20N4O2/c1-15-5-3-6-18(13-15)21(27)24-19-9-7-17(8-10-19)22-25-20(16(2)28-22)14-26-12-4-11-23-26/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyOLSPDIGLWXFCOW-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.46
Rot. Bonds5

About 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide

3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 71837420) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID71837420
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3nc(Cn4cccn4)c(C)o3)cc2)c1
InChIInChI=1S/C22H20N4O2/c1-15-5-3-6-18(13-15)21(27)24-19-9-7-17(8-10-19)22-25-20(16(2)28-22)14-26-12-4-11-23-26/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyOLSPDIGLWXFCOW-UHFFFAOYSA-N
XLogP4.46
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837442
3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837372
3-methoxy-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]propanamide
CID 53168528
2-methoxy-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837458
3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837380
2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide
CID 71837427
4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837391
2,5-dimethyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837412
3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837326
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide
CID 1365709
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-methylbenzamide
CID 110642543
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide (CID 71837420) is 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(-c3nc(Cn4cccn4)c(C)o3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is OLSPDIGLWXFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-5-3-6-18(13-15)21(27)24-19-9-7-17(8-10-19)22-25-20(16(2)28-22)14-26-12-4-11-23-26/h3-13H,14H2,1-2H3,(H,24,27).
What are the key properties of 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71837420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).