4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide

C19H24N4O2 — CID 95137940

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCCC1=NO[C@H](CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1
InChIInChI=1S/C19H24N4O2/c1-4-17-10-18(25-22-17)11-20-19(24)16-7-5-15(6-8-16)12-23-14(3)9-13(2)21-23/h5-9,18H,4,10-12H2,1-3H3,(H,20,24)/t18-/m0/s1
InChIKeyJFYMXUBZMKGMQU-SFHVURJKSA-N
MW340.43 g/mol
LogP2.83
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 95137940) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID95137940
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCCC1=NO[C@H](CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1
InChIInChI=1S/C19H24N4O2/c1-4-17-10-18(25-22-17)11-20-19(24)16-7-5-15(6-8-16)12-23-14(3)9-13(2)21-23/h5-9,18H,4,10-12H2,1-3H3,(H,20,24)/t18-/m0/s1
InChIKeyJFYMXUBZMKGMQU-SFHVURJKSA-N
XLogP2.83
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 50976410
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 97256536
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
N-[[(2S)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 42325125
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 45184078
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 131892543
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 131926858
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (CID 95137940) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is CCC1=NO[C@H](CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is JFYMXUBZMKGMQU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-17-10-18(25-22-17)11-20-19(24)16-7-5-15(6-8-16)12-23-14(3)9-13(2)21-23/h5-9,18H,4,10-12H2,1-3H3,(H,20,24)/t18-/m0/s1.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 95137940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).