3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H23N5O4S — CID 110244393

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)C2)c1C
InChIInChI=1S/C19H23N5O4S/c1-4-23-12(2)15(11-20-23)16-10-18(28-22-16)19(25)21-14-6-5-13-7-8-24(17(13)9-14)29(3,26)27/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,21,25)
InChIKeyRGPLOOIQZADEJG-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.67
Rot. Bonds5

About 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 110244393) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID110244393
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)C2)c1C
InChIInChI=1S/C19H23N5O4S/c1-4-23-12(2)15(11-20-23)16-10-18(28-22-16)19(25)21-14-6-5-13-7-8-24(17(13)9-14)29(3,26)27/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,21,25)
InChIKeyRGPLOOIQZADEJG-UHFFFAOYSA-N
XLogP1.67
TPSA105.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237410
(5R)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carbonyl chloride
CID 97032907
N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3241275
(5R)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40504811
1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386236
(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide
CID 22689965
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
(5R)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95623071
3-(3-bromophenyl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495749
1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 110303929
1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386113

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 110244393) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NOC(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)C2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RGPLOOIQZADEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-4-23-12(2)15(11-20-23)16-10-18(28-22-16)19(25)21-14-6-5-13-7-8-24(17(13)9-14)29(3,26)27/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,21,25).
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110244393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).