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

C19H23N5O4S — CID 25404246

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)NCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C19H23N5O4S/c1-14-19(15(2)28-23-14)29(26,27)22-10-8-18(25)20-12-16-4-6-17(7-5-16)13-24-11-3-9-21-24/h3-7,9,11,22H,8,10,12-13H2,1-2H3,(H,20,25)
InChIKeyDLHPFNZKIJOFBR-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.52
Rot. Bonds9

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 25404246) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID25404246
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)NCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C19H23N5O4S/c1-14-19(15(2)28-23-14)29(26,27)22-10-8-18(25)20-12-16-4-6-17(7-5-16)13-24-11-3-9-21-24/h3-7,9,11,22H,8,10,12-13H2,1-2H3,(H,20,25)
InChIKeyDLHPFNZKIJOFBR-UHFFFAOYSA-N
XLogP1.52
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(imidazo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 110416152
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614486
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide
CID 110356539
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CID 47125027
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9042128
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9259359
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9042417
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
3-[[benzyl(methyl)carbamoyl]amino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 56515868
N-(5-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 29355283
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (CID 25404246) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is Cc1noc(C)c1S(=O)(=O)NCCC(=O)NCc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is DLHPFNZKIJOFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-14-19(15(2)28-23-14)29(26,27)22-10-8-18(25)20-12-16-4-6-17(7-5-16)13-24-11-3-9-21-24/h3-7,9,11,22H,8,10,12-13H2,1-2H3,(H,20,25).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 417.49 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 25404246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).