1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one

C11H13N3O2S — CID 158037749

IUPAC1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
SMILESCC(=O)CSC1=NN=C(c2c(C)noc2C)C1
InChIInChI=1S/C11H13N3O2S/c1-6(15)5-17-10-4-9(12-13-10)11-7(2)14-16-8(11)3/h4-5H2,1-3H3
InChIKeyFCELHCBPNOTRPL-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.12
Rot. Bonds3

About 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one

1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one (PubChem CID 158037749) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
PubChem CID158037749
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
SMILESCC(=O)CSC1=NN=C(c2c(C)noc2C)C1
InChIInChI=1S/C11H13N3O2S/c1-6(15)5-17-10-4-9(12-13-10)11-7(2)14-16-8(11)3/h4-5H2,1-3H3
InChIKeyFCELHCBPNOTRPL-UHFFFAOYSA-N
XLogP2.12
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one with MolForge

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Related Compounds

2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 23007269
4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 96595001
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485219
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164442
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one
CID 148782583
2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid
CID 12588241
3,5-dimethyl-4-methylsulfinyl-1,2-oxazole
CID 70320458
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one?
The IUPAC name of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one (CID 158037749) is 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one.
What is the SMILES notation for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one?
The canonical SMILES for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one is CC(=O)CSC1=NN=C(c2c(C)noc2C)C1.
What is the InChIKey of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one?
The InChIKey is FCELHCBPNOTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6(15)5-17-10-4-9(12-13-10)11-7(2)14-16-8(11)3/h4-5H2,1-3H3.
What are the key properties of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one?
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 251.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 158037749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).