1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea

C16H25N5O4S — CID 166316654

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea
SMILESCc1noc(C)c1C(C)CNC(=O)NS(=O)(=O)c1cnn(CC(C)C)c1
InChIInChI=1S/C16H25N5O4S/c1-10(2)8-21-9-14(7-18-21)26(23,24)20-16(22)17-6-11(3)15-12(4)19-25-13(15)5/h7,9-11H,6,8H2,1-5H3,(H2,17,20,22)
InChIKeyYRPIXZFPRBKFIZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.94
Rot. Bonds7

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea (PubChem CID 166316654) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea
PubChem CID166316654
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea
SMILESCc1noc(C)c1C(C)CNC(=O)NS(=O)(=O)c1cnn(CC(C)C)c1
InChIInChI=1S/C16H25N5O4S/c1-10(2)8-21-9-14(7-18-21)26(23,24)20-16(22)17-6-11(3)15-12(4)19-25-13(15)5/h7,9-11H,6,8H2,1-5H3,(H2,17,20,22)
InChIKeyYRPIXZFPRBKFIZ-UHFFFAOYSA-N
XLogP1.94
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea with MolForge

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Related Compounds

1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
CID 79232497
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 97240369
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75387649
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 167785125
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 97340875
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124736927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea (CID 166316654) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea is Cc1noc(C)c1C(C)CNC(=O)NS(=O)(=O)c1cnn(CC(C)C)c1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea?
The InChIKey is YRPIXZFPRBKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-10(2)8-21-9-14(7-18-21)26(23,24)20-16(22)17-6-11(3)15-12(4)19-25-13(15)5/h7,9-11H,6,8H2,1-5H3,(H2,17,20,22).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea has a molecular weight of 383.47 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylurea is sourced from PubChem (CID 166316654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).