N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide

C23H21N5O3 — CID 42321965

IUPACN-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
SMILESCC(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccc(-n3cccn3)cc2)c(C)o1
InChIInChI=1S/C23H21N5O3/c1-15-21(27-23(31-15)19-6-3-4-7-20(19)26-16(2)29)14-24-22(30)17-8-10-18(11-9-17)28-13-5-12-25-28/h3-13H,14H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyDVISCWZGNFWFBR-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.72
Rot. Bonds6

About N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide

N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide (PubChem CID 42321965) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
PubChem CID42321965
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
SMILESCC(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccc(-n3cccn3)cc2)c(C)o1
InChIInChI=1S/C23H21N5O3/c1-15-21(27-23(31-15)19-6-3-4-7-20(19)26-16(2)29)14-24-22(30)17-8-10-18(11-9-17)28-13-5-12-25-28/h3-13H,14H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyDVISCWZGNFWFBR-UHFFFAOYSA-N
XLogP3.72
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
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CID 20955421
N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
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2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
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N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 45165679
3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide
CID 42397912
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118755297
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide (CID 42321965) is N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide is CC(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccc(-n3cccn3)cc2)c(C)o1.
What is the InChIKey of N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is DVISCWZGNFWFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-15-21(27-23(31-15)19-6-3-4-7-20(19)26-16(2)29)14-24-22(30)17-8-10-18(11-9-17)28-13-5-12-25-28/h3-13H,14H2,1-2H3,(H,24,30)(H,26,29).
What are the key properties of N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide?
N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 415.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 42321965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).